6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-9-(1-cyclopropylbutyl)-8-ethyl-purine

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-9-(1-cyclopropylbutyl)-8-ethyl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(1-cyclopropylbutyl)-8-ethyl-purine CAS Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(1-cyclopropylbutyl)-8-ethylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(1-cyclopropylbutyl)-8-ethylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(1-cyclopropylbutyl)-8-ethyl-purine Formula: C21H22ClF3N4O MolecularWeight: 438.87379

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC1)N2C(=NC3=C(N=CN=C32)C4=C(C=C(C=C4)OC(F)(F)F)Cl)CC

Isomeric SMILES

CCCC(C1CC1)N2C(=NC3=C(N=CN=C32)C4=C(C=C(C=C4)OC(F)(F)F)Cl)CC

InChI

InChI=1S/C21H22ClF3N4O/c1-3-5-16(12-6-7-12)29-17(4-2)28-19-18(26-11-27-20(19)29)14-9-8-13(10-15(14)22)30-21(23,24)25/h8-12,16H,3-7H2,1-2H3