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

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ChEBI Name 3-isobutyl-1-methyl-9H-xanthine
ChEBI ID CHEBI:43253
ChEBI ASCII Name 3-isobutyl-1-methyl-9H-xanthine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H14N4O2
Net Charge 0
Average Mass 222.24392
Monoisotopic Mass 222.11168
InChI InChI=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)
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N
SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O
ChEBI Ontology
Outgoing 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 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 Sources
3-isobutyl-1-methyl-3,9-dihydro-1H-purine-2,6-dione IUPAC
3-ISOBUTYL-1-METHYLXANTHINE PDBeChem
Manual Xref Database
IBM PDBeChem
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Registry Number Type Source
3555164 Beilstein Registry Number Beilstein
Last Modified
31 March 2010