ethanoic acid; 3-oxidanyl-7H-purine-2,6-dione

Systemtic Name: ethanoic acid; 3-oxidanyl-7H-purine-2,6-dione Openeye Name: acetic acid; 3-hydroxy-7H-purine-2,6-dione CAS Name: acetic acid; 3-hydroxy-7H-purine-2,6-dione IUPAC Name: acetic acid; 3-hydroxy-7H-purine-2,6-dione Traditional Name: acetic acid; 3-hydroxy-7H-purine-2,6-quinone Formula: C7H8N4O5 MolecularWeight: 228.16222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=NC2=C(N1)C(=O)NC(=O)N2O

Isomeric SMILES

CC(=O)O.C1=NC2=C(N1)C(=O)NC(=O)N2O

InChI

InChI=1S/C5H4N4O3.C2H4O2/c10-4-2-3(7-1-6-2)9(12)5(11)8-4;1-2(3)4/h1,12H,(H,6,7)(H,8,10,11);1H3,(H,3,4)