3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CCCCC4)OC

InChI

InChI=1S/C25H27N3O5S/c1-32-22-14-20-21(15-23(22)33-2)26-25(34-16-18-8-10-19(11-9-18)28(30)31)27(24(20)29)13-12-17-6-4-3-5-7-17/h6,8-11,14-15H,3-5,7,12-13,16H2,1-2H3