6-bromanyl-3-ethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-ethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 6-bromo-3-ethyl-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-ethyl-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 6-bromo-3-ethyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 6-bromo-3-ethyl-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C16H18BrN3O2S MolecularWeight: 396.30202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC3CCCCNC3=O

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC3CCCCNC3=O

InChI

InChI=1S/C16H18BrN3O2S/c1-2-20-15(22)11-9-10(17)6-7-12(11)19-16(20)23-13-5-3-4-8-18-14(13)21/h6-7,9,13H,2-5,8H2,1H3,(H,18,21)