2-[5,6-bis(azanyl)-2-[3-[bis(azanyl)methylideneamino]phenoxy]pyrimidin-4-yl]oxy-4-cyano-benzoic acid

Systemtic Name: 2-[5,6-bis(azanyl)-2-[3-[bis(azanyl)methylideneamino]phenoxy]pyrimidin-4-yl]oxy-4-cyano-benzoic acid Openeye Name: 4-cyano-2-[5,6-diamino-2-(3-guanidinophenoxy)pyrimidin-4-yl]oxy-benzoic acid CAS Name: 4-cyano-2-[[5,6-diamino-2-[3-(diaminomethylideneamino)phenoxy]-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 4-cyano-2-[5,6-diamino-2-[3-(diaminomethylideneamino)phenoxy]pyrimidin-4-yl]oxybenzoic acid Traditional Name: 4-cyano-2-[5,6-diamino-2-(3-guanidinophenoxy)pyrimidin-4-yl]oxy-benzoic acid Formula: C19H16N8O4 MolecularWeight: 420.38154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C(=O)O)N)N)N=C(N)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C(=O)O)N)N)N=C(N)N

InChI

InChI=1S/C19H16N8O4/c20-8-9-4-5-12(17(28)29)13(6-9)31-16-14(21)15(22)26-19(27-16)30-11-3-1-2-10(7-11)25-18(23)24/h1-7H,21H2,(H,28,29)(H2,22,26,27)(H4,23,24,25)