8-ethyl-9-hex-1-en-3-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine

Systemtic Name: 8-ethyl-9-hex-1-en-3-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine Openeye Name: 8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]-9-(1-vinylbutyl)purine CAS Name: 8-ethyl-9-hex-1-en-3-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine IUPAC Name: 8-ethyl-9-hex-1-en-3-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine Traditional Name: 8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]-9-(1-propylallyl)purine Formula: C21H23F3N4O MolecularWeight: 404.42873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N4O/c1-5-8-13(6-2)28-17(7-3)27-19-18(25-12-26-20(19)28)15-10-9-14(29-4)11-16(15)21(22,23)24/h6,9-13H,2,5,7-8H2,1,3-4H3