2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C21H27ClN4O2S/c1-5-6-7-10-26-19(28)16-9-8-15(22)11-17(16)24-20(26)29-12-18(27)25-21(4,13-23)14(2)3/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,25,27)