1,3-dimethyl-8-nitro-purin-3-ium-2,6-dione hydrate

Systemtic Name: 1,3-dimethyl-8-nitro-purin-3-ium-2,6-dione hydrate Openeye Name: 1,3-dimethyl-8-nitro-purin-3-ium-2,6-dione hydrate CAS Name: 1,3-dimethyl-8-nitropurin-3-ium-2,6-dione hydrate IUPAC Name: 1,3-dimethyl-8-nitropurin-3-ium-2,6-dione hydrate Traditional Name: 1,3-dimethyl-8-nitro-purin-3-ium-2,6-quinone hydrate Formula: C7H8N5O5+ MolecularWeight: 242.16892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)[N+](=O)[O-].O

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)[N+](=O)[O-].O

InChI

InChI=1S/C7H6N5O4.H2O/c1-10-4-3(5(13)11(2)7(10)14)8-6(9-4)12(15)16;/h1-2H3;1H2/q+1;