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

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)C4CCCC4)C

InChI

InChI=1S/C22H23N5OS/c1-14-15(2)27(16-7-3-4-8-16)21(18(14)11-23)26-20(28)12-29-22-17-9-5-6-10-19(17)24-13-25-22/h5-6,9-10,13,16H,3-4,7-8,12H2,1-2H3,(H,26,28)