ethanoic acid; 8-methyl-3-oxidanyl-7H-purine-2,6-dione

Systemtic Name: ethanoic acid; 8-methyl-3-oxidanyl-7H-purine-2,6-dione Openeye Name: acetic acid; 3-hydroxy-8-methyl-7H-purine-2,6-dione CAS Name: acetic acid; 3-hydroxy-8-methyl-7H-purine-2,6-dione IUPAC Name: acetic acid; 3-hydroxy-8-methyl-7H-purine-2,6-dione Traditional Name: acetic acid; 3-hydroxy-8-methyl-7H-purine-2,6-quinone Formula: C8H10N4O5 MolecularWeight: 242.1888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)NC(=O)N2O.CC(=O)O

Isomeric SMILES

CC1=NC2=C(N1)C(=O)NC(=O)N2O.CC(=O)O

InChI

InChI=1S/C6H6N4O3.C2H4O2/c1-2-7-3-4(8-2)10(13)6(12)9-5(3)11;1-2(3)4/h13H,1H3,(H,7,8)(H,9,11,12);1H3,(H,3,4)