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

Systemtic Name: 5-cyano-4-(3-cyano-4-fluoranyl-phenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-4-(3-cyano-4-fluoro-phenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-4-(3-cyano-4-fluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-4-(3-cyano-4-fluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-4-(3-cyano-4-fluoro-phenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C14H9FN4O3 MolecularWeight: 300.244663

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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)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H9FN4O3/c1-7-10(6-17)12(19(14(21)22)13(20)18-7)8-2-3-11(15)9(4-8)5-16/h2-4,12H,1H3,(H,18,20)(H,21,22)