8-[2-(trifluoromethyloxy)phenyl]sulfanyl-7H-purin-6-amine

Systemtic Name: 8-[2-(trifluoromethyloxy)phenyl]sulfanyl-7H-purin-6-amine Openeye Name: 8-[2-(trifluoromethoxy)phenyl]sulfanyl-7H-purin-6-amine CAS Name: 8-[[2-(trifluoromethoxy)phenyl]thio]-7H-purin-6-amine IUPAC Name: 8-[2-(trifluoromethoxy)phenyl]sulfanyl-7H-purin-6-amine Traditional Name: [8-[[2-(trifluoromethoxy)phenyl]thio]-7H-purin-6-yl]amine Formula: C12H8F3N5OS MolecularWeight: 327.28503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(F)(F)F)SC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C(=C1)OC(F)(F)F)SC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C12H8F3N5OS/c13-12(14,15)21-6-3-1-2-4-7(6)22-11-19-8-9(16)17-5-18-10(8)20-11/h1-5H,(H3,16,17,18,19,20)