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CHEBI:123444 - 1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one

ChEBI IDCHEBI:123444
ChEBI Name1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one
Stars
DownloadsMolfile
FormulaC22H18ClN5O2S
Net Charge0
Average Mass451.939
Monoisotopic Mass451.08697
SMILESO=C(CSc1nc2n(-c3ccc(Cl)cc3)ncc-2c(=O)n1)N1CCCc2ccccc21
InChIInChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)28-20-17(12-24-28)21(30)26-22(25-20)31-13-19(29)27-11-3-5-14-4-1-2-6-18(14)27/h1-2,4,6-10,12,24H,3,5,11,13H2
InChIKeyXORMCTHDSXXHCH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one (CHEBI:123444) is a pyrazoles (CHEBI:26410)
1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one (CHEBI:123444) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-34886LINCS