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

Systemtic Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzoic acid Openeye Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzoic acid CAS Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)-9-purinyl]methyl]benzoic acid IUPAC Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzoic acid Traditional Name: 4-[[6-(dimethylamino)-2-(trifluoromethyl)purin-9-yl]methyl]benzoic acid Formula: C16H14F3N5O2 MolecularWeight: 365.30987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N5O2/c1-23(2)12-11-13(22-15(21-12)16(17,18)19)24(8-20-11)7-9-3-5-10(6-4-9)14(25)26/h3-6,8H,7H2,1-2H3,(H,25,26)