6-[(phenylmethyl)amino]-9-[[3-(trifluoromethyl)phenyl]methyl]purine-2-carbonitrile

Systemtic Name: 6-[(phenylmethyl)amino]-9-[[3-(trifluoromethyl)phenyl]methyl]purine-2-carbonitrile Openeye Name: 6-(benzylamino)-9-[[3-(trifluoromethyl)phenyl]methyl]purine-2-carbonitrile CAS Name: 6-[(phenylmethyl)amino]-9-[[3-(trifluoromethyl)phenyl]methyl]-2-purinecarbonitrile IUPAC Name: 6-(benzylamino)-9-[[3-(trifluoromethyl)phenyl]methyl]purine-2-carbonitrile Traditional Name: 6-(benzylamino)-9-[3-(trifluoromethyl)benzyl]purine-2-carbonitrile Formula: C21H15F3N6 MolecularWeight: 408.37921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC(=CC=C4)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC(=CC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C21H15F3N6/c22-21(23,24)16-8-4-7-15(9-16)12-30-13-27-18-19(28-17(10-25)29-20(18)30)26-11-14-5-2-1-3-6-14/h1-9,13H,11-12H2,(H,26,28,29)