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

Systemtic Name: 5-cyano-4-(4-fluoranyl-3-pyridin-3-yl-phenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-4-[4-fluoro-3-(3-pyridyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-4-[4-fluoro-3-(3-pyridinyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-4-(4-fluoro-3-pyridin-3-ylphenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-4-[4-fluoro-3-(3-pyridyl)phenyl]-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C18H13FN4O3 MolecularWeight: 352.319223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN4O3/c1-10-14(8-20)16(23(18(25)26)17(24)22-10)11-4-5-15(19)13(7-11)12-3-2-6-21-9-12/h2-7,9,16H,1H3,(H,22,24)(H,25,26)