EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111298 - 1-tert-butyl-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-pyrazolo[3,4-d]pyrimidinone

ChEBI IDCHEBI:111298
ChEBI Name1-tert-butyl-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-pyrazolo[3,4-d]pyrimidinone
Stars
DownloadsMolfile
FormulaC17H17ClN4O2
Net Charge0
Average Mass344.802
Monoisotopic Mass344.10400
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc21
InChIInChI=1S/C17H17ClN4O2/c1-17(2,3)22-15-13(8-20-22)16(24)21(10-19-15)9-14(23)11-4-6-12(18)7-5-11/h4-8,10H,9H2,1-3H3
InChIKeyRGHMGVRHYMHHPL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-tert-butyl-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-pyrazolo[3,4-d]pyrimidinone (CHEBI:111298) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-22754LINCS