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CHEBI:115547 - 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone

ChEBI IDCHEBI:115547
ChEBI Name2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
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DownloadsMolfile
FormulaC25H29N5O2S
Net Charge0
Average Mass463.607
Monoisotopic Mass463.20420
SMILESCOc1ccccc1N1CCN(C(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)CC1
InChIInChI=1S/C25H29N5O2S/c1-25(2)16-18-8-4-5-9-19(18)23-26-27-24(30(23)25)33-17-22(31)29-14-12-28(13-15-29)20-10-6-7-11-21(20)32-3/h4-11H,12-17H2,1-3H3
InChIKeyQHRLIQVZSCVBLO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone (CHEBI:115547) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-27004LINCS