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

Systemtic Name: 1-(2-hydroxyethyl)-3,7-dimethyl-purine-2,6-dione; nitric acid Openeye Name: 1-(2-hydroxyethyl)-3,7-dimethyl-purine-2,6-dione; nitric acid CAS Name: 1-(2-hydroxyethyl)-3,7-dimethylpurine-2,6-dione; nitric acid IUPAC Name: 1-(2-hydroxyethyl)-3,7-dimethylpurine-2,6-dione; nitric acid Traditional Name: 1-(2-hydroxyethyl)-3,7-dimethyl-xanthine; nitric acid Formula: C9H13N5O6 MolecularWeight: 287.22942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCO.[N+](=O)(O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCO.[N+](=O)(O)[O-]

InChI

InChI=1S/C9H12N4O3.HNO3/c1-11-5-10-7-6(11)8(15)13(3-4-14)9(16)12(7)2;2-1(3)4/h5,14H,3-4H2,1-2H3;(H,2,3,4)