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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NC=CN3C)C(=O)OC

Isomeric SMILES

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

InChI

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