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CHEBI:79781 - 2-Amino-6-(benzylthio)purine

ChEBI IDCHEBI:79781
ChEBI Name2-Amino-6-(benzylthio)purine
Stars
DownloadsMolfile
FormulaC12H11N5S
Net Charge0
Average Mass257.322
Monoisotopic Mass257.07352
SMILESNc1nc(SCc2ccccc2)c2ncnc2n1
InChIInChI=1S/C12H11N5S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKeyJQMGATKUPCKDEG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Amino-6-(benzylthio)purine (CHEBI:79781) is a thiopurine (CHEBI:35666)
Synonyms  Source
BenzythioguanineKEGG COMPOUND
6-BenzylthioguanineKEGG COMPOUND
Manual XrefsDatabases
C15279KEGG COMPOUND
Registry NumbersSources
CAS:1874-58-4KEGG COMPOUND