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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-2-[(3-methoxyphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(m-anisylthio)-6,7-dimethoxy-quinazolin-4-one Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

InChI

InChI=1S/C26H30N2O4S/c1-30-20-11-7-10-19(14-20)17-33-26-27-22-16-24(32-3)23(31-2)15-21(22)25(29)28(26)13-12-18-8-5-4-6-9-18/h7-8,10-11,14-16H,4-6,9,12-13,17H2,1-3H3