N,N-dimethyl-9-[(4-methylphenyl)methyl]-8-phenoxy-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N,N-dimethyl-9-[(4-methylphenyl)methyl]-8-phenoxy-2-(trifluoromethyl)purin-6-amine Openeye Name: N,N-dimethyl-8-phenoxy-9-(p-tolylmethyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N,N-dimethyl-9-[(4-methylphenyl)methyl]-8-phenoxy-2-(trifluoromethyl)-6-purinamine IUPAC Name: N,N-dimethyl-9-[(4-methylphenyl)methyl]-8-phenoxy-2-(trifluoromethyl)purin-6-amine Traditional Name: dimethyl-[9-(4-methylbenzyl)-8-phenoxy-2-(trifluoromethyl)purin-6-yl]amine Formula: C22H20F3N5O MolecularWeight: 427.42231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N=C2OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N=C2OC4=CC=CC=C4

InChI

InChI=1S/C22H20F3N5O/c1-14-9-11-15(12-10-14)13-30-19-17(26-21(30)31-16-7-5-4-6-8-16)18(29(2)3)27-20(28-19)22(23,24)25/h4-12H,13H2,1-3H3