methyl (4S)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(5-cyano-1,2-dimethyl-3-pyrrolyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(5-cyano-1,2-dimethylpyrrol-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(N(C(=C2)C#N)C)C)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=C(N(C(=C2)C#N)C)C)C(=O)OC

InChI

InChI=1S/C14H16N4O2S/c1-7-11(13(19)20-4)12(17-14(21)16-7)10-5-9(6-15)18(3)8(10)2/h5,12H,1-4H3,(H2,16,17,21)/t12-/m0/s1