6-ethyl-9-(3-fluorophenyl)-2-(trifluoromethyl)purine

Systemtic Name: 6-ethyl-9-(3-fluorophenyl)-2-(trifluoromethyl)purine Openeye Name: 6-ethyl-9-(3-fluorophenyl)-2-(trifluoromethyl)purine CAS Name: 6-ethyl-9-(3-fluorophenyl)-2-(trifluoromethyl)purine IUPAC Name: 6-ethyl-9-(3-fluorophenyl)-2-(trifluoromethyl)purine Traditional Name: 6-ethyl-9-(3-fluorophenyl)-2-(trifluoromethyl)purine Formula: C14H10F4N4 MolecularWeight: 310.249613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10F4N4/c1-2-10-11-12(21-13(20-10)14(16,17)18)22(7-19-11)9-5-3-4-8(15)6-9/h3-7H,2H2,1H3