2-(trifluoromethyl)-7H-purin-6-amine methanoate

Systemtic Name: 2-(trifluoromethyl)-7H-purin-6-amine methanoate Openeye Name: 2-(trifluoromethyl)-7H-purin-6-amine formate CAS Name: 2-(trifluoromethyl)-7H-purin-6-amine formate IUPAC Name: 2-(trifluoromethyl)-7H-purin-6-amine formate Traditional Name: [2-(trifluoromethyl)-7H-purin-6-yl]amine formate Formula: C7H5F3N5O2- MolecularWeight: 248.14211

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)C(F)(F)F)N.C(=O)[O-]

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)C(F)(F)F)N.C(=O)[O-]

InChI

InChI=1S/C6H4F3N5.CH2O2/c7-6(8,9)5-13-3(10)2-4(14-5)12-1-11-2;2-1-3/h1H,(H3,10,11,12,13,14);1H,(H,2,3)/p-1