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

Systemtic Name: butyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: butyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid butyl ester Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2Cl)C

InChI

InChI=1S/C16H19ClN2O3/c1-3-4-9-22-15(20)13-10(2)18-16(21)19-14(13)11-7-5-6-8-12(11)17/h5-8,14H,3-4,9H2,1-2H3,(H2,18,19,21)/t14-/m1/s1