2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(6-bromo-4-oxo-quinazolin-3-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-(6-bromo-4-oxo-3-quinazolinyl)-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-(6-bromo-4-keto-quinazolin-3-yl)-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C18H13BrN4O2S MolecularWeight: 429.29042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)SCC#N

InChI

InChI=1S/C18H13BrN4O2S/c19-12-5-6-14-13(9-12)18(25)23(11-21-14)10-17(24)22-15-3-1-2-4-16(15)26-8-7-20/h1-6,9,11H,8,10H2,(H,22,24)