1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide

Systemtic Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide Openeye Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide CAS Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide IUPAC Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide Traditional Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-quinone iodide Formula: C8H11IN4O2 MolecularWeight: 322.10301

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[I-]

Isomeric SMILES

C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[I-]

InChI

InChI=1S/C8H10N4O2.HI/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H