ethyl (6S)-4-methyl-3-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-4-methyl-3-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-4-methyl-6-(1-methylpyrazol-4-yl)-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-methyl-3-(3-methylphenyl)-6-(1-methyl-4-pyrazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-4-methyl-3-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-methyl-6-(1-methylpyrazol-4-yl)-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CN(N=C2)C)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CN(N=C2)C)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C19H22N4O2S/c1-5-25-18(24)16-13(3)23(15-8-6-7-12(2)9-15)19(26)21-17(16)14-10-20-22(4)11-14/h6-11,17H,5H2,1-4H3,(H,21,26)/t17-/m0/s1