7-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione; nitric acid

Systemtic Name: 7-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione; nitric acid Openeye Name: 7-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione; nitric acid CAS Name: 7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitric acid IUPAC Name: 7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitric acid Traditional Name: 1,3-dimethyl-7-methylol-xanthine; nitric acid Formula: C8H11N5O6 MolecularWeight: 273.20284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N4O3.HNO3/c1-10-6-5(12(4-13)3-9-6)7(14)11(2)8(10)15;2-1(3)4/h3,13H,4H2,1-2H3;(H,2,3,4)