EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94764 - 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione

Default Structure
ChEBI IDCHEBI:94764
ChEBI Name7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC9H12N4O3
Net Charge0
Average Mass224.220
Monoisotopic Mass224.09094
SMILESCn1c(=O)c2c(ncn2CCO)n(C)c1=O
InChIInChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
InChIKeyNWPRCRWQMGIBOT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione (CHEBI:94764) is a organic molecular entity (CHEBI:50860)
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione (CHEBI:94764) is a oxopurine (CHEBI:25810)
INNs  Source
etofilinaWHO MedNet
etofyllineWHO MedNet
Synonyms  Source
aethophyllinumDrugCentral
ascorphyllineDrugCentral
Beta-hydroxyethyl theophyllineChEMBL
cordalinDrugCentral
dilaphyllinDrugCentral
Doxophylline metabolite m4ChEMBL
Manual XrefsDatabases
1107DrugCentral
LSM-5892LINCS
Registry NumbersSources
CAS:519-37-9DrugCentral
Citations