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

Systemtic Name: 4-(3-bromophenyl)-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 4-(3-bromophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 4-(3-bromophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 4-(3-bromophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 4-(3-bromophenyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C13H10BrN3O3 MolecularWeight: 336.1408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O3/c1-7-10(6-15)11(8-3-2-4-9(14)5-8)17(13(19)20)12(18)16-7/h2-5,11H,1H3,(H,16,18)(H,19,20)