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CHEBI:120882 - 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]acetic acid propan-2-yl ester

ChEBI IDCHEBI:120882
ChEBI Name2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]acetic acid propan-2-yl ester
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC17H21N3O2S
Net Charge0
Average Mass331.441
Monoisotopic Mass331.13545
SMILESCC(C)OC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2
InChIInChI=1S/C17H21N3O2S/c1-11(2)22-14(21)10-23-16-19-18-15-13-8-6-5-7-12(13)9-17(3,4)20(15)16/h5-8,11H,9-10H2,1-4H3
InChIKeyWLTMKDSPNQYZMV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]acetic acid propan-2-yl ester (CHEBI:120882) is a isopropyl ester (CHEBI:35725)
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]acetic acid propan-2-yl ester (CHEBI:120882) is a triazolopyridine (CHEBI:46746)
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