9-(phenylmethyl)-6-[[3-(trifluoromethyloxy)phenyl]methylsulfanyl]purine

Systemtic Name: 9-(phenylmethyl)-6-[[3-(trifluoromethyloxy)phenyl]methylsulfanyl]purine Openeye Name: 9-benzyl-6-[[3-(trifluoromethoxy)phenyl]methylsulfanyl]purine CAS Name: 9-(phenylmethyl)-6-[[3-(trifluoromethoxy)phenyl]methylthio]purine IUPAC Name: 9-benzyl-6-[[3-(trifluoromethoxy)phenyl]methylsulfanyl]purine Traditional Name: 9-benzyl-6-[[3-(trifluoromethoxy)benzyl]thio]purine Formula: C20H15F3N4OS MolecularWeight: 416.41951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4)OC(F)(F)F

InChI

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