N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3

InChI

InChI=1S/C21H26N4O2S/c1-14(2)21(3,13-22)24-18(26)12-28-20-23-17-11-7-6-10-16(17)19(27)25(20)15-8-4-5-9-15/h6-7,10-11,14-15H,4-5,8-9,12H2,1-3H3,(H,24,26)/t21-/m0/s1