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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methyl-ammonio]acetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylammonio]acetate IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylazaniumyl]acetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-methyl-ammonio]acetate Formula: C10H13N5O4 MolecularWeight: 267.24132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O4/c1-13(4-5(16)17)9-11-6-7(12-9)14(2)10(19)15(3)8(6)18/h4H2,1-3H3,(H,11,12)(H,16,17)