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

Systemtic Name: N-methyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-(3-benzyloxyphenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine CAS Name: N-methyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-methyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(3-benzoxyphenyl)-2-(trifluoromethyl)purin-6-yl]-methyl-amine Formula: C20H16F3N5O MolecularWeight: 399.36915

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)OCC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)OCC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H16F3N5O/c1-24-17-16-18(27-19(26-17)20(21,22)23)28(12-25-16)14-8-5-9-15(10-14)29-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,24,26,27)