6-(phenylmethyl)-2-[[3-(trifluoromethyloxy)phenyl]methylsulfanyl]-7H-purine

Systemtic Name: 6-(phenylmethyl)-2-[[3-(trifluoromethyloxy)phenyl]methylsulfanyl]-7H-purine Openeye Name: 6-benzyl-2-[[3-(trifluoromethoxy)phenyl]methylsulfanyl]-7H-purine CAS Name: 6-(phenylmethyl)-2-[[3-(trifluoromethoxy)phenyl]methylthio]-7H-purine IUPAC Name: 6-benzyl-2-[[3-(trifluoromethoxy)phenyl]methylsulfanyl]-7H-purine Traditional Name: 6-benzyl-2-[[3-(trifluoromethoxy)benzyl]thio]-7H-purine Formula: C20H15F3N4OS MolecularWeight: 416.41951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3C(=NC(=N2)SCC4=CC(=CC=C4)OC(F)(F)F)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3C(=NC(=N2)SCC4=CC(=CC=C4)OC(F)(F)F)N=CN3

InChI

InChI=1S/C20H15F3N4OS/c21-20(22,23)28-15-8-4-7-14(9-15)11-29-19-26-16(10-13-5-2-1-3-6-13)17-18(27-19)25-12-24-17/h1-9,12H,10-11H2,(H,24,25,26,27)