6-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purine

Systemtic Name: 6-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purine Openeye Name: 6-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purine CAS Name: 6-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purine IUPAC Name: 6-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purine Traditional Name: 6-ethyl-9-(2-fluorobenzyl)-2-(trifluoromethyl)purine Formula: C15H12F4N4 MolecularWeight: 324.276193

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)CC3=CC=CC=C3F

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)CC3=CC=CC=C3F

InChI

InChI=1S/C15H12F4N4/c1-2-11-12-13(22-14(21-11)15(17,18)19)23(8-20-12)7-9-5-3-4-6-10(9)16/h3-6,8H,2,7H2,1H3