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

Systemtic Name: methyl 3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]benzoate Openeye Name: methyl 3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]benzoate CAS Name: 3-[6-ethyl-2-(trifluoromethyl)-9-purinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]benzoate Traditional Name: 3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]benzoic acid methyl ester Formula: C16H13F3N4O2 MolecularWeight: 350.29523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C16H13F3N4O2/c1-3-11-12-13(22-15(21-11)16(17,18)19)23(8-20-12)10-6-4-5-9(7-10)14(24)25-2/h4-8H,3H2,1-2H3