8-ethyl-9-heptan-4-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine

Systemtic Name: 8-ethyl-9-heptan-4-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine Openeye Name: 8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]-9-(1-propylbutyl)purine CAS Name: 8-ethyl-9-heptan-4-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine IUPAC Name: 8-ethyl-9-heptan-4-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine Traditional Name: 8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]-9-(1-propylbutyl)purine Formula: C22H27F3N4O MolecularWeight: 420.47119

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC)C(F)(F)F)CC

Isomeric SMILES

CCCC(CCC)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC)C(F)(F)F)CC

InChI

InChI=1S/C22H27F3N4O/c1-5-8-14(9-6-2)29-18(7-3)28-20-19(26-13-27-21(20)29)16-11-10-15(30-4)12-17(16)22(23,24)25/h10-14H,5-9H2,1-4H3