CHEBI:137296 - 9-Methylxanthine

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ChEBI Name 9-Methylxanthine
ChEBI ID CHEBI:137296
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C6H6N4O2
Net Charge 0
Average Mass 166.138
Monoisotopic Mass 166.04908
InChI InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)
InChIKey DHNIKYWYTSMDDA-UHFFFAOYSA-N
SMILES CN1C=NC2=C1NC(NC2=O)=O
ChEBI Ontology
Outgoing 9-Methylxanthine (CHEBI:137296) is a oxopurine (CHEBI:25810)
IUPAC Name
9-Methyl-3,9-dihydro-1H-purine-2,6-dione
Manual Xrefs Databases
64136 ChemSpider
HMDB0059716 HMDB
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Last Modified
21 January 2019