7-[2-(dimethylazaniumyl)ethyl]-6-oxidanylidene-3H-purin-2-olate

Systemtic Name: 7-[2-(dimethylazaniumyl)ethyl]-6-oxidanylidene-3H-purin-2-olate Openeye Name: 7-[2-(dimethylammonio)ethyl]-6-oxo-3H-purin-2-olate CAS Name: 7-[2-(dimethylammonio)ethyl]-6-oxo-3H-purin-2-olate IUPAC Name: 7-[2-(dimethylazaniumyl)ethyl]-6-oxo-3H-purin-2-olate Traditional Name: 7-[2-(dimethylammonio)ethyl]-6-keto-3H-purin-2-olate Formula: C9H13N5O2 MolecularWeight: 223.23182

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=NC2=C1C(=O)N=C(N2)[O-]

Isomeric SMILES

C[NH+](C)CCN1C=NC2=C1C(=O)N=C(N2)[O-]

InChI

InChI=1S/C9H13N5O2/c1-13(2)3-4-14-5-10-7-6(14)8(15)12-9(16)11-7/h5H,3-4H2,1-2H3,(H2,11,12,15,16)