EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123204 - 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione

ChEBI IDCHEBI:123204
ChEBI Name7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione
Stars
DownloadsMolfile
FormulaC20H23ClFN5O2
Net Charge0
Average Mass419.888
Monoisotopic Mass419.15243
SMILESCn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2c(F)cccc2Cl)n(C)c1=O
InChIInChI=1S/C20H23ClFN5O2/c1-24-18-17(19(28)25(2)20(24)29)27(11-13-14(21)7-6-8-15(13)22)16(23-18)12-26-9-4-3-5-10-26/h6-8H,3-5,9-12H2,1-2H3
InChIKeyGQYNQHXEXRNBOH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione (CHEBI:123204) is a oxopurine (CHEBI:25810)
Manual XrefsDatabases
LSM-34646LINCS