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

Systemtic Name: 4-[[4-oxidanylidene-6-(3-pyridin-4-ylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-[3-(4-pyridyl)prop-1-ynyl]pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-(3-pyridin-4-ylprop-1-ynyl)-3-pyrido[3,4-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(3-pyridin-4-ylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(4-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(=CC=C1CN2C=NC3=C(C2=O)C=C(N=C3)C#CCC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(N=C3)C#CCC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C23H16N4O3/c28-22-20-12-19(3-1-2-16-8-10-24-11-9-16)25-13-21(20)26-15-27(22)14-17-4-6-18(7-5-17)23(29)30/h4-13,15H,2,14H2,(H,29,30)