methyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-12-7-6-8-15(9-12)25-14(3)18(20(26)27-5)19(23-21(25)28)17-10-16(11-22)24(4)13(17)2/h6-10,19H,1-5H3,(H,23,28)/t19-/m1/s1