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

Systemtic Name: hexyl (4S)-4-(2-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: hexyl (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 hexyl ester IUPAC Name: hexyl (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 hexyl ester Formula: C18H23BrN2O3 MolecularWeight: 395.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O3/c1-3-4-5-8-11-24-17(22)15-12(2)20-18(23)21-16(15)13-9-6-7-10-14(13)19/h6-7,9-10,16H,3-5,8,11H2,1-2H3,(H2,20,21,23)/t16-/m1/s1