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

Systemtic Name: 2-[[6-(trifluoromethyl)purin-9-yl]methoxy]ethyl benzoate Openeye Name: 2-[[6-(trifluoromethyl)purin-9-yl]methoxy]ethyl benzoate CAS Name: benzoic acid 2-[[6-(trifluoromethyl)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[6-(trifluoromethyl)purin-9-yl]methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[[6-(trifluoromethyl)purin-9-yl]methoxy]ethyl ester Formula: C16H13F3N4O3 MolecularWeight: 366.29463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOCN2C=NC3=C(N=CN=C32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOCN2C=NC3=C(N=CN=C32)C(F)(F)F

InChI

InChI=1S/C16H13F3N4O3/c17-16(18,19)13-12-14(21-8-20-13)23(9-22-12)10-25-6-7-26-15(24)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2