N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-[(3-benzyloxyphenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine CAS Name: N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(3-benzoxybenzyl)-2-(trifluoromethyl)purin-6-yl]-dimethyl-amine Formula: C22H20F3N5O MolecularWeight: 427.42231

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC(=CC=C3)OCC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC(=CC=C3)OCC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O/c1-29(2)19-18-20(28-21(27-19)22(23,24)25)30(14-26-18)12-16-9-6-10-17(11-16)31-13-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3