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

Systemtic Name: 4-(5-bromanyl-2-fluoranyl-phenyl)-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 4-(5-bromo-2-fluoro-phenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 4-(5-bromo-2-fluorophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 4-(5-bromo-2-fluorophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 4-(5-bromo-2-fluoro-phenyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C13H9BrFN3O3 MolecularWeight: 354.131263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrFN3O3/c1-6-9(5-16)11(18(13(20)21)12(19)17-6)8-4-7(14)2-3-10(8)15/h2-4,11H,1H3,(H,17,19)(H,20,21)