1,9-dimethyl-6-methylsulfanyl-purin-1-ium

Systemtic Name: 1,9-dimethyl-6-methylsulfanyl-purin-1-ium Openeye Name: 1,9-dimethyl-6-methylsulfanyl-purin-1-ium CAS Name: 1,9-dimethyl-6-(methylthio)purin-1-ium IUPAC Name: 1,9-dimethyl-6-methylsulfanylpurin-1-ium Traditional Name: 1,9-dimethyl-6-(methylthio)purin-1-ium Formula: C8H11N4S+ MolecularWeight: 195.26474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C[N+](=C2SC)C

Isomeric SMILES

CN1C=NC2=C1N=C[N+](=C2SC)C

InChI

InChI=1S/C8H11N4S/c1-11-4-9-6-7(11)10-5-12(2)8(6)13-3/h4-5H,1-3H3/q+1