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 ChemicalBook:CB6263892, eMolecules:523473, eMolecules:1012740, ZINC000003861807 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