3,7-dimethylpurine-2,6-dione hydroiodide

Systemtic Name: 3,7-dimethylpurine-2,6-dione hydroiodide Openeye Name: 3,7-dimethylpurine-2,6-dione hydroiodide CAS Name: 3,7-dimethylpurine-2,6-dione hydroiodide IUPAC Name: 3,7-dimethylpurine-2,6-dione hydroiodide Traditional Name: theobromine hydroiodide Formula: C7H9IN4O2 MolecularWeight: 308.07643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)NC(=O)N2C.I

Isomeric SMILES

CN1C=NC2=C1C(=O)NC(=O)N2C.I

InChI

InChI=1S/C7H8N4O2.HI/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);1H