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

Systemtic Name: 2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclopentyl)acetamide Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C20H23ClN4O2S/c1-13(2)10-25-18(27)15-6-5-14(21)9-16(15)23-19(25)28-11-17(26)24-20(12-22)7-3-4-8-20/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,24,26)