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

Systemtic Name: ethyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=C(N(C(=C2)C#N)C)C)C(=O)OCC)C

Isomeric SMILES

CCOCCCN1C(=C([C@H](NC1=S)C2=C(N(C(=C2)C#N)C)C)C(=O)OCC)C

InChI

InChI=1S/C20H28N4O3S/c1-6-26-10-8-9-24-14(4)17(19(25)27-7-2)18(22-20(24)28)16-11-15(12-21)23(5)13(16)3/h11,18H,6-10H2,1-5H3,(H,22,28)/t18-/m1/s1