2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(1-cyanocyclopentyl)acetamide Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C19H21BrN4O2S/c1-2-9-24-17(26)14-10-13(20)5-6-15(14)22-18(24)27-11-16(25)23-19(12-21)7-3-4-8-19/h5-6,10H,2-4,7-9,11H2,1H3,(H,23,25)