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CHEBI:34795 - 3-isobutyl-1-methyl-7H-xanthine

ChEBI IDCHEBI:34795
ChEBI Name3-isobutyl-1-methyl-7H-xanthine
Stars
ASCII Name3-isobutyl-1-methyl-7H-xanthine
Last Modified25 February 2016
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-7H-xanthine (CHEBI:34795) has functional parent 7H-xanthine (CHEBI:48517)
3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795) is a 3-isobutyl-1-methylxanthine (CHEBI:48518)
3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795) is tautomer of 3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253)
Incoming Relation(s)
3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253) is tautomer of 3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795)
IUPAC Name 
1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Synonyms  Source
IBMXKEGG COMPOUND
3-Isobutyl-1-methyxanthineKEGG COMPOUND
3-isobutyl-1-methylxanthineIUPHAR
1-methyl-3-isobutylxanthineChemIDplus
3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dioneIUPAC
1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dioneIUPHAR
Manual XrefsDatabases
C13708KEGG COMPOUND
IBMPDBeChem
LSM-24983LINCS
Registry NumbersSources
Beilstein:247859Beilstein
CAS:28822-58-4ChemIDplus