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

Systemtic Name: ethyl (4S)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)CSC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)C)CSC3=NC=CN3C

InChI

InChI=1S/C19H22N4O3S/c1-4-26-17(24)15-14(11-27-19-20-9-10-23(19)3)21-18(25)22-16(15)13-7-5-12(2)6-8-13/h5-10,16H,4,11H2,1-3H3,(H2,21,22,25)/t16-/m0/s1