4-[[4-oxidanylidene-6-(3-pyridin-3-ylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-(3-pyridin-3-ylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-[3-(3-pyridyl)prop-1-ynyl]pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[3-(3-pyridinyl)prop-1-ynyl]-3-pyrido[3,4-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(3-pyridin-3-ylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(3-pyridyl)prop-1-ynyl]pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C23H16N4O3 MolecularWeight: 396.39814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC#CC2=CC3=C(C=N2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC#CC2=CC3=C(C=N2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H16N4O3/c28-22-20-11-19(5-1-3-16-4-2-10-24-12-16)25-13-21(20)26-15-27(22)14-17-6-8-18(9-7-17)23(29)30/h2,4,6-13,15H,3,14H2,(H,29,30)