User Survey : Help improve ChEBI - please click here to take part in our quick User Survey.

CHEBI:28279 - 6-methylthiopurine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-methylthiopurine
ChEBI ID CHEBI:28279
Definition A thiopurine that is 9H-purine substituted by a methylsulfanyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9564, CHEBI:26973, CHEBI:29131
Supplier Information
Save molfile Download Molfile
Formula C6H6N4S
Net Charge 0
Average Mass 166.20480
Monoisotopic Mass 166.031
InChI InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey UIJIQXGRFSPYQW-UHFFFAOYSA-N
SMILES CSc1ncnc2[nH]cnc12
ChEBI Ontology
Outgoing 6-methylthiopurine (CHEBI:28279) is a thiopurine (CHEBI:35666)
IUPAC Name
6-(methylsulfanyl)-9H-purine
Synonyms Sources
6-Methylmercaptopurine ChemIDplus
6-methylthiopurine ChEBI
6-Methylthiopurine KEGG COMPOUND
Thiopurine S-methylether KEGG COMPOUND
Thiopurine S-methylether KEGG COMPOUND
Database Links Databases
C03542 KEGG COMPOUND
C16614 KEGG COMPOUND
View more database links
Registry Number Type Source
50-66-8 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11218242 PubMed citation Europe PMC
23666567 PubMed citation Europe PMC
Last Modified
04 August 2014