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

Systemtic Name: 6-ethyl-9-(4-methylphenyl)-2-(trifluoromethyl)purine Openeye Name: 6-ethyl-9-(p-tolyl)-2-(trifluoromethyl)purine CAS Name: 6-ethyl-9-(4-methylphenyl)-2-(trifluoromethyl)purine IUPAC Name: 6-ethyl-9-(4-methylphenyl)-2-(trifluoromethyl)purine Traditional Name: 6-ethyl-9-(p-tolyl)-2-(trifluoromethyl)purine Formula: C15H13F3N4 MolecularWeight: 306.28573

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N4/c1-3-11-12-13(21-14(20-11)15(16,17)18)22(8-19-12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3