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

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-9-(dicyclopropylmethyl)-8-ethyl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(dicyclopropylmethyl)-8-ethyl-purine CAS Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(dicyclopropylmethyl)-8-ethylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(dicyclopropylmethyl)-8-ethylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(dicyclopropylmethyl)-8-ethyl-purine Formula: C21H20ClF3N4O MolecularWeight: 436.85791

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=C(C=C(C=C5)OC(F)(F)F)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=C(C=C(C=C5)OC(F)(F)F)Cl

InChI

InChI=1S/C21H20ClF3N4O/c1-2-16-28-18-17(14-8-7-13(9-15(14)22)30-21(23,24)25)26-10-27-20(18)29(16)19(11-3-4-11)12-5-6-12/h7-12,19H,2-6H2,1H3