4-[(2-azanyl-4-oxidanylidene-1H-pyrido[3,4-d]pyrimidin-6-yl)methylamino]benzoic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pyrido[3,4-d]pyrimidin-6-yl)methylamino]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pyrido[3,4-d]pyrimidin-6-yl)methylamino]benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-pyrido[3,4-d]pyrimidin-6-yl)methylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pyrido[3,4-d]pyrimidin-6-yl)methylamino]benzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pyrido[3,4-d]pyrimidin-6-yl)methylamino]benzoic acid Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=NC=C3C(=C2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=NC=C3C(=C2)C(=O)N=C(N3)N

InChI

InChI=1S/C15H13N5O3/c16-15-19-12-7-18-10(5-11(12)13(21)20-15)6-17-9-3-1-8(2-4-9)14(22)23/h1-5,7,17H,6H2,(H,22,23)(H3,16,19,20,21)