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

Systemtic Name: 4-[(E)-2-(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)vinyl]benzoic acid Formula: C16H12N4O3 MolecularWeight: 308.29148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C16H12N4O3/c17-16-19-13-12(14(21)20-16)7-10(8-18-13)2-1-9-3-5-11(6-4-9)15(22)23/h1-8H,(H,22,23)(H3,17,18,19,20,21)/b2-1+