3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(5-methylisoxazol-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-2-[(5-methyl-3-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[(5-methylisoxazol-3-yl)methylthio]quinazolin-4-one Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

InChI

InChI=1S/C23H27N3O4S/c1-15-11-17(25-30-15)14-31-23-24-19-13-21(29-3)20(28-2)12-18(19)22(27)26(23)10-9-16-7-5-4-6-8-16/h7,11-13H,4-6,8-10,14H2,1-3H3