N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C5CCCC5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C5CCCC5)C

InChI

InChI=1S/C27H31N5O2S/c1-17-18(2)31(19-9-3-4-10-19)25(22(17)15-28)30-24(33)16-35-27-29-23-14-8-7-13-21(23)26(34)32(27)20-11-5-6-12-20/h7-8,13-14,19-20H,3-6,9-12,16H2,1-2H3,(H,30,33)