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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one Openeye Name: 2-acetonylsulfanyl-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-2-(2-oxopropylthio)-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-(2-oxopropylsulfanyl)quinazolin-4-one Traditional Name: 2-(acetonylthio)-3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-quinazolin-4-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CCCCC3)OC)OC

Isomeric SMILES

CC(=O)CSC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CCCCC3)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-14(24)13-28-21-22-17-12-19(27-3)18(26-2)11-16(17)20(25)23(21)10-9-15-7-5-4-6-8-15/h7,11-12H,4-6,8-10,13H2,1-3H3