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

Systemtic Name: 4-[2-(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid Formula: C16H10N4O3 MolecularWeight: 306.2756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC3=C(NC(=NC3=O)N)N=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC3=C(NC(=NC3=O)N)N=C2)C(=O)O

InChI

InChI=1S/C16H10N4O3/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/h3-8H,(H,22,23)(H3,17,18,19,20,21)