6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-8-ethyl-9-hexyl-purine

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-8-ethyl-9-hexyl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-hexyl-purine CAS Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-hexylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-hexylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-hexyl-purine Formula: C20H22ClF3N4O MolecularWeight: 426.86309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC(F)(F)F)Cl)CC

Isomeric SMILES

CCCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC(F)(F)F)Cl)CC

InChI

InChI=1S/C20H22ClF3N4O/c1-3-5-6-7-10-28-16(4-2)27-18-17(25-12-26-19(18)28)14-9-8-13(11-15(14)21)29-20(22,23)24/h8-9,11-12H,3-7,10H2,1-2H3