8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride Openeye Name: 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride CAS Name: 8-(2-hydroxyethylthio)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride IUPAC Name: 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride Traditional Name: 8-(2-hydroxyethylthio)-1,3,7-trimethyl-7H-purin-7-ium-2,6-quinone chloride Formula: C10H15ClN4O3S MolecularWeight: 306.7691

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C.[Cl-]

Isomeric SMILES

C[NH+]1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C.[Cl-]

InChI

InChI=1S/C10H14N4O3S.ClH/c1-12-6-7(11-9(12)18-5-4-15)13(2)10(17)14(3)8(6)16;/h15H,4-5H2,1-3H3;1H