1,3-dimethyl-8-nitro-7H-purine-2,6-dione hydrate

Systemtic Name: 1,3-dimethyl-8-nitro-7H-purine-2,6-dione hydrate Openeye Name: 1,3-dimethyl-8-nitro-7H-purine-2,6-dione hydrate CAS Name: 1,3-dimethyl-8-nitro-7H-purine-2,6-dione hydrate IUPAC Name: 1,3-dimethyl-8-nitro-7H-purine-2,6-dione hydrate Traditional Name: 1,3-dimethyl-8-nitro-7H-purine-2,6-quinone hydrate Formula: C7H9N5O5 MolecularWeight: 243.17686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+](=O)[O-].O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+](=O)[O-].O

InChI

InChI=1S/C7H7N5O4.H2O/c1-10-4-3(5(13)11(2)7(10)14)8-6(9-4)12(15)16;/h1-2H3,(H,8,9);1H2