4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzonitrile CAS Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)-9-purinyl]methyl]benzonitrile IUPAC Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzonitrile Traditional Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzonitrile Formula: C16H13F3N6 MolecularWeight: 346.30983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C16H13F3N6/c1-24(2)13-12-14(23-15(22-13)16(17,18)19)25(9-21-12)8-11-5-3-10(7-20)4-6-11/h3-6,9H,8H2,1-2H3