6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-9-(4-methoxyphenyl)purine

Systemtic Name: 6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-9-(4-methoxyphenyl)purine Openeye Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-9-(4-methoxyphenyl)purine CAS Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-9-(4-methoxyphenyl)purine IUPAC Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-9-(4-methoxyphenyl)purine Traditional Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-9-(4-methoxyphenyl)purine Formula: C19H12F4N4O MolecularWeight: 388.318393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C4=C(C=C(C=C4)C(F)(F)F)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C4=C(C=C(C=C4)C(F)(F)F)F

InChI

InChI=1S/C19H12F4N4O/c1-28-13-5-3-12(4-6-13)27-10-26-17-16(24-9-25-18(17)27)14-7-2-11(8-15(14)20)19(21,22)23/h2-10H,1H3