2-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-carbonyl]amino]acetic acid CAS Name: 2-[[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolane-2-carbonyl]amino]acetic acid Traditional Name: 2-[[3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-carbonyl]amino]acetic acid Formula: C12H13N5O7 MolecularWeight: 339.26092

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)C(=O)NCC(=O)O)O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)C(=O)NCC(=O)O)O)O

InChI

InChI=1S/C12H13N5O7/c18-4(19)1-13-11(23)8-6(20)7(21)12(24-8)17-3-16-5-9(17)14-2-15-10(5)22/h2-3,6-8,12,20-21H,1H2,(H,13,23)(H,18,19)(H,14,15,22)