2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxyquinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one Formula: C26H35N3O4S MolecularWeight: 485.6388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N3CCCCCC3)CCC4=CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N3CCCCCC3)CCC4=CCCCC4)OC

InChI

InChI=1S/C26H35N3O4S/c1-32-22-16-20-21(17-23(22)33-2)27-26(34-18-24(30)28-13-8-3-4-9-14-28)29(25(20)31)15-12-19-10-6-5-7-11-19/h10,16-17H,3-9,11-15,18H2,1-2H3