3-methylbutyl 4-(4-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-methylbutyl 4-(4-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopentyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-bromophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isoamyl ester Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)OCCC(C)C

InChI

InChI=1S/C17H21BrN2O3/c1-10(2)8-9-23-16(21)14-11(3)19-17(22)20-15(14)12-4-6-13(18)7-5-12/h4-7,10,15H,8-9H2,1-3H3,(H2,19,20,22)