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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-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:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C21H25ClN4O2S/c1-14(2)7-10-26-19(28)16-6-5-15(22)11-17(16)24-20(26)29-12-18(27)25-21(13-23)8-3-4-9-21/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,25,27)