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

Systemtic Name: 6-[4-chloranyl-2-(trifluoromethyl)phenyl]-8-ethyl-9-pentyl-purine Openeye Name: 6-[4-chloro-2-(trifluoromethyl)phenyl]-8-ethyl-9-pentyl-purine CAS Name: 6-[4-chloro-2-(trifluoromethyl)phenyl]-8-ethyl-9-pentylpurine IUPAC Name: 6-[4-chloro-2-(trifluoromethyl)phenyl]-8-ethyl-9-pentylpurine Traditional Name: 9-amyl-6-[4-chloro-2-(trifluoromethyl)phenyl]-8-ethyl-purine Formula: C19H20ClF3N4 MolecularWeight: 396.83711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)Cl)C(F)(F)F)CC

Isomeric SMILES

CCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)Cl)C(F)(F)F)CC

InChI

InChI=1S/C19H20ClF3N4/c1-3-5-6-9-27-15(4-2)26-17-16(24-11-25-18(17)27)13-8-7-12(20)10-14(13)19(21,22)23/h7-8,10-11H,3-6,9H2,1-2H3