4-bromanyl-5-cyano-1-(4-fluorophenyl)-6-methyl-2-oxidanylidene-4H-pyrimidine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1C2=CC=C(C=C2)F)C(=O)O)Br)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1C2=CC=C(C=C2)F)C(=O)O)Br)C#N

InChI

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