methyl 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]benzoate

Systemtic Name: methyl 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]benzoate Openeye Name: methyl 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]benzoate CAS Name: 3-[6-(methylamino)-2-(trifluoromethyl)-9-purinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]benzoate Traditional Name: 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]benzoic acid methyl ester Formula: C15H12F3N5O2 MolecularWeight: 351.28329

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC=CC(=C3)C(=O)OC)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC=CC(=C3)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C15H12F3N5O2/c1-19-11-10-12(22-14(21-11)15(16,17)18)23(7-20-10)9-5-3-4-8(6-9)13(24)25-2/h3-7H,1-2H3,(H,19,21,22)