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CHEBI:105088 - 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester

ChEBI IDCHEBI:105088
ChEBI Name2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester
Stars
DownloadsMolfile
FormulaC16H16N4O2S
Net Charge0
Average Mass328.397
Monoisotopic Mass328.09940
SMILESCCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1
InChIInChI=1S/C16H16N4O2S/c1-3-22-14(21)9-23-16-13-8-19-20(15(13)17-10-18-16)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3
InChIKeyXUVHWWHRMKGYMV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester (CHEBI:105088) is a pyrazoles (CHEBI:26410)
2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester (CHEBI:105088) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-16451LINCS