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

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ChEBI Name 3-isobutyl-1-methyl-7H-xanthine ChEBI ID CHEBI:34795 ChEBI ASCII Name 3-isobutyl-1-methyl-7H-xanthine Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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)Cn1c2nc[nH]c2c(=O)n(C)c1=O ChEBI Ontology Outgoing 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 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 Sources 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPHAR 1-methyl-3-isobutylxanthine ChemIDplus 3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione IUPAC 3-isobutyl-1-methylxanthine IUPHAR 3-Isobutyl-1-methyxanthine KEGG COMPOUND IBMX KEGG COMPOUND Manual Xrefs Databases C13708 KEGG COMPOUND IBM PDBeChem LSM-24983 LINCS View more database links Registry Numbers Types Sources 247859 Beilstein Registry Number Beilstein 28822-58-4 CAS Registry Number ChemIDplus Last Modified 25 February 2016