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CHEBI:174774 - S-methylazathioprine

Default Structure
ChEBI IDCHEBI:174774
ChEBI NameS-methylazathioprine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10N7O2S
Net Charge+1
Average Mass292.304
Monoisotopic Mass292.06112
SMILESCn1cnc([N+](=O)[O-])c1[S+](C)c1ncnc2ncnc12
InChIInChI=1S/C10H10N7O2S/c1-16-5-15-8(17(18)19)10(16)20(2)9-6-7(12-3-11-6)13-4-14-9/h3-5H,1-2H3,(H,11,12,13,14)/q+1
InChIKeyCAGKKYGOGIIIDP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
S-methylazathioprine (CHEBI:174774) is a purines (CHEBI:26401)
IUPAC Name 
methyl-(3-methyl-5-nitroimidazol-4-yl)-(7H-purin-6-yl)sulanium
Manual XrefsDatabases
35031960ChemSpider
HMDB0061068HMDB