6,7-dimethoxy-2-(2-methylpropylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine Openeye Name: 2-isobutylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine CAS Name: 6,7-dimethoxy-2-(2-methylpropylthio)-3-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-2-(2-methylpropylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine Traditional Name: [2-(isobutylthio)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]quinazolin-4-ylidene]amine Formula: C22H24F3N3O2S MolecularWeight: 451.50507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC

Isomeric SMILES

CC(C)CSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC

InChI

InChI=1S/C22H24F3N3O2S/c1-13(2)12-31-21-27-17-10-19(30-4)18(29-3)9-16(17)20(26)28(21)11-14-6-5-7-15(8-14)22(23,24)25/h5-10,13,26H,11-12H2,1-4H3