6-[2-chloranyl-4-(trifluoromethyl)phenyl]-8-ethyl-9-heptyl-purine

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyl)phenyl]-8-ethyl-9-heptyl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-heptyl-purine CAS Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-heptylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-heptylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-heptyl-purine Formula: C21H24ClF3N4 MolecularWeight: 424.89027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)C(F)(F)F)Cl)CC

Isomeric SMILES

CCCCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)C(F)(F)F)Cl)CC

InChI

InChI=1S/C21H24ClF3N4/c1-3-5-6-7-8-11-29-17(4-2)28-19-18(26-13-27-20(19)29)15-10-9-14(12-16(15)22)21(23,24)25/h9-10,12-13H,3-8,11H2,1-2H3