CHEBI:94615 - 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid

ChEBI IDCHEBI:94615
ChEBI Name2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC9H10N4O4
Net Charge0
Average Mass238.203
Monoisotopic Mass238.07020
SMILESCn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
InChIInChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
InChIKeyHCYFGRCYSCXKNQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid (CHEBI:94615) is a oxopurine (CHEBI:25810)
Synonyms  Source
acephyllineDrugCentral
carboxymethyltheophyllineDrugCentral
theophyllineacetic acidDrugCentral
Manual XrefsDatabases
49DrugCentral
LSM-5551LINCS
Registry NumbersSources
CAS:652-37-9DrugCentral