methyl 6-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H21BrN4O3 MolecularWeight: 481.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H21BrN4O3/c1-14-19(22(29)31-3)21(25-23(30)27(14)2)18-13-28(17-7-5-4-6-8-17)26-20(18)15-9-11-16(24)12-10-15/h4-13,21H,1-3H3,(H,25,30)