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Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
1 step
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
1 step
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
5 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
6 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
10 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
10 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
13 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
1 step
Depiction
Dead-End Product
CURLTUGMZLYLDI-UHFFFAOYSA-N
Carbon Dioxide
C(=O)=O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
7 steps
Depiction
Dead-End Product
RUVCBXGBDLUZCH-UHFFFAOYSA-N
3-Hydroxy-3-sulfopropanoic acid
C(CC(S(=O)(=O)O)O)(O)=O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
7 steps
Depiction
Dead-End Product
LRLIVKIZKFEOGS-UHFFFAOYSA-N
C(=C(C(=C(O)C(=O)O)S(=O)(=O)O)O)C(O)=O

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Depiction
Upstream Precursor
IWKDRQYPKUQGSE-UHFFFAOYSA-N
CC1=CC(=CC(=C1N=NC2=CC3=C(C(=C(C(=C3C=C2NC4=NC(=NC(=N4)NCC(C)…
Depth 2
Depiction
Product
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depiction
Upstream Precursor
MIESMRCVYSRHMR-UHFFFAOYSA-N
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C(=C3C=C2NC4=NC(=NC(=N4)NCC(C)N…
Depth 1
Depiction
Product
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depiction
Upstream Precursor
HHHMMDXZERYGAQ-UHFFFAOYSA-N
CC1=CC(=CC(=C1N=NC2=CC3=C(C(=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N…
Depth 1
Depiction
Product
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…

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Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 1
Depiction
Downstream Successor
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 1
Depiction
Downstream Successor
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 1
Depiction
Downstream Successor
CURLTUGMZLYLDI-UHFFFAOYSA-N
Carbon Dioxide
C(=O)=O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 2
Depiction
Downstream Successor
QNAYBMKLOCPYGJ-UHFFFAOYSA-O
Alaninium
[NH3+]C(C)C(=O)O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 2
Depiction
Downstream Successor
BUTHMSUEBYPMKJ-UHFFFAOYSA-N
3-Sulfopyruvic acid
C(C(O)=O)(CS(=O)(=O)O)=O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 2
Depiction
Downstream Successor
QPMCUNAXNMSGTK-UHFFFAOYSA-N
Alaninal
NC(C=O)C
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 3
Depiction
Downstream Successor
JSCNFEFJALUGBY-UHFFFAOYSA-N
1,2-Dioxopropanoic acid
O=CC(=O)C(=O)O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 1
Depiction
Downstream Successor
UXSWVBZKCOJJLH-UHFFFAOYSA-N
Cc1cc(cc(c1N)OC)S(=O)(=O)N
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 3
Depiction
Downstream Successor
ABGOFZFXFHWXMQ-UHFFFAOYSA-N
CC(=CC(=CC(O)=O)S(=O)(=O)O)C(=O)O
Depiction
Precursor
PHOYJWWEPGWYCB-UHFFFAOYSA-N
7-((4-((1-Amino-2-(formyloxy)-1-methylethyl)amino)-6-((2-aminopropyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-(aminosulfonyl)-2-methoxy-6-methylphenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acid
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)…
Depth 1
Depiction
Downstream Successor
LIGBBNKQJABBRS-UHFFFAOYSA-N
Nc1cc2c(cc(cc2cc1Nc3nc(nc(n3)NCC(C)N)NC(C)(COC=O)N)S(=O)(=O)O)O

Previewing top 10 entries. If you want the full results, please use the download button above.

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