6-(2-methoxyphenyl)-9-(phenylmethyl)-2-(trifluoromethyl)purine

Systemtic Name: 6-(2-methoxyphenyl)-9-(phenylmethyl)-2-(trifluoromethyl)purine Openeye Name: 9-benzyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)purine CAS Name: 6-(2-methoxyphenyl)-9-(phenylmethyl)-2-(trifluoromethyl)purine IUPAC Name: 9-benzyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)purine Traditional Name: 9-benzyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)purine Formula: C20H15F3N4O MolecularWeight: 384.35451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C3C(=NC(=N2)C(F)(F)F)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=C3C(=NC(=N2)C(F)(F)F)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H15F3N4O/c1-28-15-10-6-5-9-14(15)16-17-18(26-19(25-16)20(21,22)23)27(12-24-17)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3