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

Systemtic Name: methyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(2,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(2,5-dimethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-3-(2,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-3-(2,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(2,5-dimethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-12-7-8-13(2)18(9-12)26-15(4)19(21(27)28-6)20(24-22(26)29)17-10-16(11-23)25(5)14(17)3/h7-10,20H,1-6H3,(H,24,29)/t20-/m1/s1