6-ethyl-9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine

Systemtic Name: 6-ethyl-9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine Openeye Name: 9-(4-benzyloxyphenyl)-6-ethyl-2-(trifluoromethyl)purine CAS Name: 6-ethyl-9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine IUPAC Name: 6-ethyl-9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine Traditional Name: 9-(4-benzoxyphenyl)-6-ethyl-2-(trifluoromethyl)purine Formula: C21H17F3N4O MolecularWeight: 398.38109

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H17F3N4O/c1-2-17-18-19(27-20(26-17)21(22,23)24)28(13-25-18)15-8-10-16(11-9-15)29-12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3