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CHEBI:43253 - 3-isobutyl-1-methyl-9H-xanthine

ChEBI IDCHEBI:43253
ChEBI Name3-isobutyl-1-methyl-9H-xanthine
Stars
ASCII Name3-isobutyl-1-methyl-9H-xanthine
Last Modified31 March 2010
DownloadsMolfile
FormulaC10H14N4O2
Net Charge0
Average Mass222.248
Monoisotopic Mass222.11168
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2ncnc21
InChIInChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyAPIXJSLKIYYUKG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253) has functional parent 9H-xanthine (CHEBI:17712)
3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253) is a 3-isobutyl-1-methylxanthine (CHEBI:48518)
3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253) is tautomer of 3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795)
Incoming Relation(s)
3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795) is tautomer of 3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253)
IUPAC Name 
1-methyl-3-(2-methylpropyl)-3,9-dihydro-1H-purine-2,6-dione
Synonyms  Source
3-ISOBUTYL-1-METHYLXANTHINEPDBeChem
3-isobutyl-1-methyl-3,9-dihydro-1H-purine-2,6-dioneIUPAC
Manual XrefsDatabases
IBMPDBeChem
Registry NumbersSources
Beilstein:3555164Beilstein