2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C21H24BrN5O2S MolecularWeight: 490.41656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN5O2S/c1-2-3-4-13-27-20(29)17-14-16(22)7-8-18(17)25-21(27)30-15-19(28)26(11-5-9-23)12-6-10-24/h7-8,14H,2-6,11-13,15H2,1H3