methyl 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)-3-pyrido[3,4-d]pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[4-keto-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid methyl ester Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(N=C3)C#CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(N=C3)C#CCC4=CC=CC=C4

InChI

InChI=1S/C25H19N3O3/c1-31-25(30)20-12-10-19(11-13-20)16-28-17-27-23-15-26-21(14-22(23)24(28)29)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-15,17H,8,16H2,1H3