5-cyano-6-methyl-2-oxidanylidene-4-(2-pyridin-3-ylphenyl)-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 5-cyano-6-methyl-2-oxidanylidene-4-(2-pyridin-3-ylphenyl)-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-6-methyl-2-oxo-4-[2-(3-pyridyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-6-methyl-2-oxo-4-[2-(3-pyridinyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-6-methyl-2-oxo-4-(2-pyridin-3-ylphenyl)-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-2-keto-6-methyl-4-[2-(3-pyridyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC=C2C3=CN=CC=C3)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC=C2C3=CN=CC=C3)C#N

InChI

InChI=1S/C18H14N4O3/c1-11-15(9-19)16(22(18(24)25)17(23)21-11)14-7-3-2-6-13(14)12-5-4-8-20-10-12/h2-8,10,16H,1H3,(H,21,23)(H,24,25)