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CHEBI:93747 - 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester

ChEBI IDCHEBI:93747
ChEBI Name4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester
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DownloadsMolfile
FormulaC16H16N2O3S
Net Charge0
Average Mass316.382
Monoisotopic Mass316.08816
SMILESCOC(=O)c1ccc(CSc2nc3c(c(=O)n2)CCC3)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-15(20)11-7-5-10(6-8-11)9-22-16-17-13-4-2-3-12(13)14(19)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,19)
InChIKeyXDOXZFXJIASILF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester (CHEBI:93747) is a benzoate ester (CHEBI:36054)
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LSM-4248LINCS