EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:93567 - 5-[(2-bromo-6-chlorophenyl)methyl]-1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinone

ChEBI IDCHEBI:93567
ChEBI Name5-[(2-bromo-6-chlorophenyl)methyl]-1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinone
Stars
DownloadsMolfile
FormulaC16H16BrClN4O
Net Charge0
Average Mass395.688
Monoisotopic Mass394.01960
SMILESCC(C)(C)n1ncc2c(=O)n(Cc3c(Cl)cccc3Br)cnc21
InChIInChI=1S/C16H16BrClN4O/c1-16(2,3)22-14-10(7-20-22)15(23)21(9-19-14)8-11-12(17)5-4-6-13(11)18/h4-7,9H,8H2,1-3H3
InChIKeyZOACNMUYSNZLNG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[(2-bromo-6-chlorophenyl)methyl]-1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinone (CHEBI:93567) is a pyrazolopyrimidine (CHEBI:38669)
Manual XrefsDatabases
LSM-4007LINCS