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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Br)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2Br)C

InChI

InChI=1S/C17H21BrN2O3/c1-3-4-7-10-23-16(21)14-11(2)19-17(22)20-15(14)12-8-5-6-9-13(12)18/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H2,19,20,22)/t15-/m1/s1