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CHEBI:28279 - 6-methylthiopurine

ChEBI IDCHEBI:28279
ChEBI Name6-methylthiopurine
Stars
DefinitionA thiopurine that is 9H-purine substituted by a methylsulfanyl group at position 6.
Secondary ChEBI IDsCHEBI:9564, CHEBI:26973, CHEBI:29131
Last Modified16 May 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H6N4S
Net Charge0
Average Mass166.209
Monoisotopic Mass166.03132
SMILESCSc1ncnc2ncnc12
InChIInChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKeyUIJIQXGRFSPYQW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-methylthiopurine (CHEBI:28279) is a thiopurine (CHEBI:35666)
IUPAC Name 
6-(methylsulfanyl)-9H-purine
Synonyms  Source
thiopurine S-methyletherKEGG COMPOUND
6-methylthiopurineKEGG COMPOUND
6-methylthiopurineChEBI
6-methylmercaptopurineChemIDplus
6-(methylthio)-9H-purineChEBI
6-(methylthio)purineChEBI
UniProt Name  Source
6-methylthiopurineUniProt
Manual XrefsDatabases
C16614KEGG COMPOUND
XQGPDBeChem
HMDB0060412HMDB
Registry NumbersSources
CAS:50-66-8KEGG COMPOUND
CAS:50-66-8NIST Chemistry WebBook
Citations