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

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-8-ethyl-9-heptan-3-yl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-(1-ethylpentyl)purine CAS Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-heptan-3-ylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-heptan-3-ylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-(1-ethylpentyl)purine Formula: C21H24ClF3N4O MolecularWeight: 440.88967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClF3N4O/c1-4-7-8-13(5-2)29-17(6-3)28-19-18(26-12-27-20(19)29)15-10-9-14(11-16(15)22)30-21(23,24)25/h9-13H,4-8H2,1-3H3