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3-oxidanyl-7H-purine-2,6-dione hydrate

3-oxidanyl-7H-purine-2,6-dione hydrate

Systemtic Name:3-oxidanyl-7H-purine-2,6-dione hydrate
Openeye Name:3-hydroxy-7H-purine-2,6-dione hydrate
CAS Name:3-hydroxy-7H-purine-2,6-dione hydrate
IUPAC Name:3-hydroxy-7H-purine-2,6-dione hydrate
Traditional Name:3-hydroxy-7H-purine-2,6-quinone hydrate
Formula: C5H6N4O4
MolecularWeight: 186.12554
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C5H4N4O3.H2O/c10-4-2-3(7-1-6-2)9(12)5(11)8-4;/h1,12H,(H,6,7)(H,8,10,11);1H2


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