6-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]-7H-purine

Systemtic Name: 6-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]-7H-purine Openeye Name: 6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-7H-purine CAS Name: 6-[[4-(trifluoromethoxy)phenyl]methylthio]-7H-purine IUPAC Name: 6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-7H-purine Traditional Name: 6-[[4-(trifluoromethoxy)benzyl]thio]-7H-purine Formula: C13H9F3N4OS MolecularWeight: 326.29697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)OC(F)(F)F

InChI

InChI=1S/C13H9F3N4OS/c14-13(15,16)21-9-3-1-8(2-4-9)5-22-12-10-11(18-6-17-10)19-7-20-12/h1-4,6-7H,5H2,(H,17,18,19,20)