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

Systemtic Name: 4-[[4-oxidanylidene-6-(pyridin-4-ylmethylcarbamoyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(4-pyridylmethylcarbamoyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-(pyridin-4-ylmethylamino)methyl]-3-pyrido[3,4-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(pyridin-4-ylmethylcarbamoyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(4-pyridylmethylcarbamoyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=CN=C(C=C3C2=O)C(=O)NCC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=CN=C(C=C3C2=O)C(=O)NCC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C22H17N5O4/c28-20(25-10-14-5-7-23-8-6-14)18-9-17-19(11-24-18)26-13-27(21(17)29)12-15-1-3-16(4-2-15)22(30)31/h1-9,11,13H,10,12H2,(H,25,28)(H,30,31)