1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione chloride

Systemtic Name: 1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione chloride Openeye Name: 1,3,7-trimethyl-8-thioxo-7,9-dihydropurin-7-ium-2,6-dione chloride CAS Name: 1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione chloride IUPAC Name: 1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione chloride Traditional Name: 1,3,7-trimethyl-8-thioxo-7,9-dihydropurin-7-ium-2,6-quinone chloride Formula: C8H11ClN4O2S MolecularWeight: 262.71654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2=C(NC1=S)N(C(=O)N(C2=O)C)C.[Cl-]

Isomeric SMILES

C[NH+]1C2=C(NC1=S)N(C(=O)N(C2=O)C)C.[Cl-]

InChI

InChI=1S/C8H10N4O2S.ClH/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13;/h1-3H3,(H,9,15);1H