1-oxidanylidene-9-[[3-(trifluoromethyl)phenyl]methyl]-6H-purin-1-ium-6-amine

Systemtic Name: 1-oxidanylidene-9-[[3-(trifluoromethyl)phenyl]methyl]-6H-purin-1-ium-6-amine Openeye Name: 1-oxo-9-[[3-(trifluoromethyl)phenyl]methyl]-6H-purin-1-ium-6-amine CAS Name: 1-oxo-9-[[3-(trifluoromethyl)phenyl]methyl]-6H-purin-1-ium-6-amine IUPAC Name: 1-oxo-9-[[3-(trifluoromethyl)phenyl]methyl]-6H-purin-1-ium-6-amine Traditional Name: [1-keto-9-[3-(trifluoromethyl)benzyl]-6H-purin-1-ium-6-yl]amine Formula: C13H11F3N5O+ MolecularWeight: 310.25455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC3=C2N=C[N+](=O)C3N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC3=C2N=C[N+](=O)C3N

InChI

InChI=1S/C13H11F3N5O/c14-13(15,16)9-3-1-2-8(4-9)5-20-6-18-10-11(17)21(22)7-19-12(10)20/h1-4,6-7,11H,5,17H2/q+1