2-[2,6-bis(oxidanylidene)-3H-purin-7-yl]ethyl-dimethyl-azanium chloride hydrate

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3H-purin-7-yl]ethyl-dimethyl-azanium chloride hydrate Openeye Name: 2-(2,6-dioxo-3H-purin-7-yl)ethyl-dimethyl-ammonium chloride hydrate CAS Name: 2-(2,6-dioxo-3H-purin-7-yl)ethyl-dimethylammonium chloride hydrate IUPAC Name: 2-(2,6-dioxo-3H-purin-7-yl)ethyl-dimethylazanium chloride hydrate Traditional Name: 2-(2,6-diketo-3H-purin-7-yl)ethyl-dimethyl-ammonium chloride hydrate Formula: C9H16ClN5O3 MolecularWeight: 277.70804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=NC2=C1C(=O)NC(=O)N2.O.[Cl-]

Isomeric SMILES

C[NH+](C)CCN1C=NC2=C1C(=O)NC(=O)N2.O.[Cl-]

InChI

InChI=1S/C9H13N5O2.ClH.H2O/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);1H;1H2