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CHEBI:137296 - 9-Methylxanthine

ChEBI IDCHEBI:137296
ChEBI Name9-Methylxanthine
Stars
Last Modified21 January 2019
SubmitterKeeva
DownloadsMolfile
FormulaC6H6N4O2
Net Charge0
Average Mass166.140
Monoisotopic Mass166.04908
SMILESCn1cnc2c(=O)nc(=O)nc21
InChIInChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)
InChIKeyDHNIKYWYTSMDDA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
9-Methylxanthine (CHEBI:137296) is a oxopurine (CHEBI:25810)
IUPAC Name 
9-Methyl-3,9-dihydro-1H-purine-2,6-dione
Manual XrefsDatabases
64136ChemSpider
HMDB0059716HMDB