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

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

Systemtic Name:8-ethyl-9-hexyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Openeye Name:8-ethyl-9-hexyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
CAS Name:8-ethyl-9-hexyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
IUPAC Name:8-ethyl-9-hexyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Traditional Name:8-ethyl-9-hexyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Formula: C21H25F3N4O
MolecularWeight: 406.44461
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC)C(F)(F)F)CC


Isomeric SMILES

CCCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC)C(F)(F)F)CC


InChI

InChI=1S/C21H25F3N4O/c1-4-6-7-8-11-28-17(5-2)27-19-18(25-13-26-20(19)28)15-10-9-14(29-3)12-16(15)21(22,23)24/h9-10,12-13H,4-8,11H2,1-3H3


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