2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]azaniumyl]ethanoate Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ammonio]acetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ammonio]acetate IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)azaniumyl]acetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)ammonio]acetate Formula: C9H11N5O4 MolecularWeight: 253.21474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[NH2+]CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C9H11N5O4/c1-13-6-5(7(17)14(2)9(13)18)11-8(12-6)10-3-4(15)16/h3H2,1-2H3,(H,15,16)(H2,10,11,12)