(6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N,N-diethyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N,N-diethyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N,N-diethyl-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6R)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N,N-diethyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6R)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-N,N-diethyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N,N-diethyl-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N(C(=S)NC1C2=C(N(C(=C2)C#N)C)C)C3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(N(C(=S)N[C@@H]1C2=C(N(C(=C2)C#N)C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H27N5OS/c1-6-27(7-2)22(29)20-16(4)28(17-11-9-8-10-12-17)23(30)25-21(20)19-13-18(14-24)26(5)15(19)3/h8-13,21H,6-7H2,1-5H3,(H,25,30)/t21-/m1/s1