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

Systemtic Name: ethyl (4R)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(5-cyano-1,2-dimethyl-3-pyrrolyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(5-cyano-1,2-dimethylpyrrol-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(N(C(=C2)C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=C(N(C(=C2)C#N)C)C)C

InChI

InChI=1S/C15H18N4O2S/c1-5-21-14(20)12-8(2)17-15(22)18-13(12)11-6-10(7-16)19(4)9(11)3/h6,13H,5H2,1-4H3,(H2,17,18,22)/t13-/m1/s1