9-butyl-6-methylsulfanyl-7H-purin-9-ium

Systemtic Name: 9-butyl-6-methylsulfanyl-7H-purin-9-ium Openeye Name: 9-butyl-6-methylsulfanyl-7H-purin-9-ium CAS Name: 9-butyl-6-(methylthio)-7H-purin-9-ium IUPAC Name: 9-butyl-6-methylsulfanyl-7H-purin-9-ium Traditional Name: 9-butyl-6-(methylthio)-7H-purin-9-ium Formula: C10H15N4S+ MolecularWeight: 223.3179

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CNC2=C1N=CN=C2SC

Isomeric SMILES

CCCC[N+]1=CNC2=C1N=CN=C2SC

InChI

InChI=1S/C10H14N4S/c1-3-4-5-14-7-13-8-9(14)11-6-12-10(8)15-2/h6-7H,3-5H2,1-2H3/p+1