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

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-9-(1-cyclopropylpropyl)-8-ethyl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(1-cyclopropylpropyl)-8-ethyl-purine CAS Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(1-cyclopropylpropyl)-8-ethylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(1-cyclopropylpropyl)-8-ethylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-9-(1-cyclopropylpropyl)-8-ethyl-purine Formula: C20H20ClF3N4O MolecularWeight: 424.84721

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(CC)C3CC3)C4=C(C=C(C=C4)OC(F)(F)F)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(CC)C3CC3)C4=C(C=C(C=C4)OC(F)(F)F)Cl

InChI

InChI=1S/C20H20ClF3N4O/c1-3-15(11-5-6-11)28-16(4-2)27-18-17(25-10-26-19(18)28)13-8-7-12(9-14(13)21)29-20(22,23)24/h7-11,15H,3-6H2,1-2H3