3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)CCC5=CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)CCC5=CCCCC5)OC

InChI

InChI=1S/C27H29N3O7S/c1-34-23-12-21-22(13-24(23)35-2)28-27(29(26(21)31)9-8-17-6-4-3-5-7-17)38-15-19-11-20(30(32)33)10-18-14-36-16-37-25(18)19/h6,10-13H,3-5,7-9,14-16H2,1-2H3