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

Systemtic Name: 2-(2-chloranylprop-2-enylsulfanyl)-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one Openeye Name: 2-(2-chloroallylsulfanyl)-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one CAS Name: 2-(2-chloroprop-2-enylthio)-3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-quinazolinone IUPAC Name: 2-(2-chloroprop-2-enylsulfanyl)-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxyquinazolin-4-one Traditional Name: 2-(2-chloroallylthio)-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=C)Cl)CCC3=CCCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=C)Cl)CCC3=CCCCC3)OC

InChI

InChI=1S/C21H25ClN2O3S/c1-14(22)13-28-21-23-17-12-19(27-3)18(26-2)11-16(17)20(25)24(21)10-9-15-7-5-4-6-8-15/h7,11-12H,1,4-6,8-10,13H2,2-3H3