EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109228 - 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione

ChEBI IDCHEBI:109228
ChEBI Name8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Stars
DownloadsMolfile
FormulaC26H29ClN6O2
Net Charge0
Average Mass493.011
Monoisotopic Mass492.20405
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)nc(=O)n3C)n2CCc2ccccc2)CC1
InChIInChI=1S/C26H29ClN6O2/c1-18-8-9-20(27)16-21(18)32-14-12-31(13-15-32)17-22-28-24-23(25(34)29-26(35)30(24)2)33(22)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,29,34,35)
InChIKeyDMXSESYFIYHLOH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione (CHEBI:109228) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-20625LINCS