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

Systemtic Name: methyl (4S)-4-(2-methylphenyl)-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-methylphenyl)-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-methylphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[(1-methyltetrazol-5-yl)thio]methyl]-4-(o-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=O)N2)CSC3=NN=NN3C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)CSC3=NN=NN3C)C(=O)OC

InChI

InChI=1S/C16H18N6O3S/c1-9-6-4-5-7-10(9)13-12(14(23)25-3)11(17-15(24)18-13)8-26-16-19-20-21-22(16)2/h4-7,13H,8H2,1-3H3,(H2,17,18,24)/t13-/m0/s1