4-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylbutanenitrile CAS Name: 4-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]butyronitrile Formula: C16H18BrN3OS MolecularWeight: 380.30262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCC#N

InChI

InChI=1S/C16H18BrN3OS/c1-11(2)10-20-15(21)13-9-12(17)5-6-14(13)19-16(20)22-8-4-3-7-18/h5-6,9,11H,3-4,8,10H2,1-2H3