methyl (6R)-4-methyl-3-(3-methylphenyl)-6-(4-methylsulfanylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-4-methyl-3-(3-methylphenyl)-6-(4-methylsulfanylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-4-methyl-6-(4-methylsulfanylphenyl)-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-3-(3-methylphenyl)-6-[4-(methylthio)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-4-methyl-3-(3-methylphenyl)-6-(4-methylsulfanylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-methyl-6-[4-(methylthio)phenyl]-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)SC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C([C@H](NC2=S)C3=CC=C(C=C3)SC)C(=O)OC)C

InChI

InChI=1S/C21H22N2O2S2/c1-13-6-5-7-16(12-13)23-14(2)18(20(24)25-3)19(22-21(23)26)15-8-10-17(27-4)11-9-15/h5-12,19H,1-4H3,(H,22,26)/t19-/m1/s1