2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclopentyl)acetamide Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C21H25ClN4O2S/c1-2-3-6-11-26-19(28)16-8-7-15(22)12-17(16)24-20(26)29-13-18(27)25-21(14-23)9-4-5-10-21/h7-8,12H,2-6,9-11,13H2,1H3,(H,25,27)