1,7,9-trimethyl-2-methylsulfanyl-purin-9-ium-6-one

Systemtic Name: 1,7,9-trimethyl-2-methylsulfanyl-purin-9-ium-6-one Openeye Name: 1,7,9-trimethyl-2-methylsulfanyl-purin-9-ium-6-one CAS Name: 1,7,9-trimethyl-2-(methylthio)-6-purin-9-iumone IUPAC Name: 1,7,9-trimethyl-2-methylsulfanylpurin-9-ium-6-one Traditional Name: 1,7,9-trimethyl-2-(methylthio)purin-9-ium-6-one Formula: C9H13N4OS+ MolecularWeight: 225.29072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N(C(=N2)SC)C)C

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N(C(=N2)SC)C)C

InChI

InChI=1S/C9H13N4OS/c1-11-5-12(2)7-6(11)8(14)13(3)9(10-7)15-4/h5H,1-4H3/q+1