3-[(2-cyanophenyl)methylamino]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxylic acid

Systemtic Name: 3-[(2-cyanophenyl)methylamino]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 3-[(2-cyanophenyl)methylamino]-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 3-[(2-cyanophenyl)methylamino]-4-oxo-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 3-[(2-cyanophenyl)methylamino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-[(2-cyanobenzyl)amino]-4-keto-pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C17H12N4O3 MolecularWeight: 320.30218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CN=C3C=CC(=CN3C2=O)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CN=C3C=CC(=CN3C2=O)C(=O)O)C#N

InChI

InChI=1S/C17H12N4O3/c18-7-11-3-1-2-4-12(11)8-19-14-9-20-15-6-5-13(17(23)24)10-21(15)16(14)22/h1-6,9-10,19H,8H2,(H,23,24)