N-cyclopropyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-(3-benzyloxyphenyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(3-benzoxyphenyl)-2-(trifluoromethyl)purin-6-yl]-cyclopropyl-amine Formula: C22H18F3N5O MolecularWeight: 425.40643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC(=CC=C4)OCC5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC(=CC=C4)OCC5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C22H18F3N5O/c23-22(24,25)21-28-19(27-15-9-10-15)18-20(29-21)30(13-26-18)16-7-4-8-17(11-16)31-12-14-5-2-1-3-6-14/h1-8,11,13,15H,9-10,12H2,(H,27,28,29)