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

Systemtic Name: methyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-6-26-9-7-8-23-13(3)16(18(24)25-5)17(21-19(23)27)15-10-14(11-20)22(4)12(15)2/h10,17H,6-9H2,1-5H3,(H,21,27)/t17-/m1/s1