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

Systemtic Name: 6,7-dimethoxy-2-propylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine Openeye Name: 6,7-dimethoxy-2-propylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine CAS Name: 6,7-dimethoxy-2-(propylthio)-3-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-2-propylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine Traditional Name: [6,7-dimethoxy-2-(propylthio)-3-[3-(trifluoromethyl)benzyl]quinazolin-4-ylidene]amine Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC

Isomeric SMILES

CCCSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC

InChI

InChI=1S/C21H22F3N3O2S/c1-4-8-30-20-26-16-11-18(29-3)17(28-2)10-15(16)19(25)27(20)12-13-6-5-7-14(9-13)21(22,23)24/h5-7,9-11,25H,4,8,12H2,1-3H3