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

Systemtic Name: methyl (4S)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]-4-(o-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=O)N2)CSC3=NC=CN3C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)CSC3=NC=CN3C)C(=O)OC

InChI

InChI=1S/C18H20N4O3S/c1-11-6-4-5-7-12(11)15-14(16(23)25-3)13(20-17(24)21-15)10-26-18-19-8-9-22(18)2/h4-9,15H,10H2,1-3H3,(H2,20,21,24)/t15-/m0/s1