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

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-8-ethyl-9-pentan-3-yl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-(1-ethylpropyl)purine CAS Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-pentan-3-ylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-pentan-3-ylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethoxy)phenyl]-8-ethyl-9-(1-ethylpropyl)purine Formula: C19H20ClF3N4O MolecularWeight: 412.83651

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(CC)CC)C3=C(C=C(C=C3)OC(F)(F)F)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(CC)CC)C3=C(C=C(C=C3)OC(F)(F)F)Cl

InChI

InChI=1S/C19H20ClF3N4O/c1-4-11(5-2)27-15(6-3)26-17-16(24-10-25-18(17)27)13-8-7-12(9-14(13)20)28-19(21,22)23/h7-11H,4-6H2,1-3H3