2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)acetamide Formula: C22H27BrN4O2S MolecularWeight: 491.44438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H27BrN4O2S/c1-2-3-7-12-27-20(29)17-13-16(23)8-9-18(17)25-21(27)30-14-19(28)26-22(15-24)10-5-4-6-11-22/h8-9,13H,2-7,10-12,14H2,1H3,(H,26,28)