sodium 2-[2-[5-(6-oxidanylidene-3H-purin-9-yl)pentoxycarbonylamino]ethanoylamino]ethanoate

Systemtic Name: sodium 2-[2-[5-(6-oxidanylidene-3H-purin-9-yl)pentoxycarbonylamino]ethanoylamino]ethanoate Openeye Name: sodium 2-[[2-[5-(6-oxo-3H-purin-9-yl)pentoxycarbonylamino]acetyl]amino]acetate CAS Name: sodium 2-[[1-oxo-2-[[oxo-[5-(6-oxo-3H-purin-9-yl)pentoxy]methyl]amino]ethyl]amino]acetate IUPAC Name: sodium 2-[[2-[5-(6-oxo-3H-purin-9-yl)pentoxycarbonylamino]acetyl]amino]acetate Traditional Name: sodium 2-[[2-[5-(6-keto-3H-purin-9-yl)pentoxycarbonylamino]acetyl]amino]acetate Formula: C15H19N6NaO6 MolecularWeight: 402.33773

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCCCCOC(=O)NCC(=O)NCC(=O)[O-].[Na+]

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCCCCOC(=O)NCC(=O)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C15H20N6O6.Na/c22-10(16-7-11(23)24)6-17-15(26)27-5-3-1-2-4-21-9-20-12-13(21)18-8-19-14(12)25;/h8-9H,1-7H2,(H,16,22)(H,17,26)(H,23,24)(H,18,19,25);/q;+1/p-1