methyl (4S)-4-(2-chlorophenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(2-chlorophenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-chlorophenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-6-[[(1-methyl-2-imidazolyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-chlorophenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-2-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=C(C(NC(=O)N2)C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC2=C([C@H](NC(=O)N2)C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C17H17ClN4O3S/c1-22-8-7-19-17(22)26-9-12-13(15(23)25-2)14(21-16(24)20-12)10-5-3-4-6-11(10)18/h3-8,14H,9H2,1-2H3,(H2,20,21,24)/t14-/m1/s1