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

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

Systemtic Name:4-(3-bromanyl-4-fluoranyl-phenyl)-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid
Openeye Name:4-(3-bromo-4-fluoro-phenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid
CAS Name:4-(3-bromo-4-fluorophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid
IUPAC Name:4-(3-bromo-4-fluorophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid
Traditional Name:4-(3-bromo-4-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=CC(=C(C=C2)F)Br)C#N


Isomeric SMILES

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


InChI

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


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