6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-8-ethyl-9-hexan-3-yl-purine

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-8-ethyl-9-hexan-3-yl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-(1-ethylbutyl)purine CAS Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-hexan-3-ylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-hexan-3-ylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-(1-ethylbutyl)purine Formula: C20H22ClF3N4O MolecularWeight: 426.86309

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC(F)(F)F)Cl)CC

Isomeric SMILES

CCCC(CC)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC(F)(F)F)Cl)CC

InChI

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