1,3-dimethyl-3-oxidanyl-9H-purin-3-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-3-oxidanyl-9H-purin-3-ium-2,6-dione Openeye Name: 3-hydroxy-1,3-dimethyl-9H-purin-3-ium-2,6-dione CAS Name: 3-hydroxy-1,3-dimethyl-9H-purin-3-ium-2,6-dione IUPAC Name: 3-hydroxy-1,3-dimethyl-9H-purin-3-ium-2,6-dione Traditional Name: 3-hydroxy-1,3-dimethyl-9H-purin-3-ium-2,6-quinone Formula: C7H9N4O3+ MolecularWeight: 197.17136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC=N2)[N+](C1=O)(C)O

Isomeric SMILES

CN1C(=O)C2=C(NC=N2)[N+](C1=O)(C)O

InChI

InChI=1S/C7H8N4O3/c1-10-6(12)4-5(9-3-8-4)11(2,14)7(10)13/h3,14H,1-2H3/p+1