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CHEBI:92746 - 4-cyanobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester

ChEBI IDCHEBI:92746
ChEBI Name4-cyanobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester
Stars
DownloadsMolfile
FormulaC18H11N3O4S
Net Charge0
Average Mass365.370
Monoisotopic Mass365.04703
SMILESN#Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIInChI=1S/C18H11N3O4S/c19-9-12-2-4-13(5-3-12)17(23)25-16-10-24-14(8-15(16)22)11-26-18-20-6-1-7-21-18/h1-8,10H,11H2
InChIKeyOYKOAVOVSIXRCI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-cyanobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester (CHEBI:92746) is a benzoate ester (CHEBI:36054)
Manual XrefsDatabases
LSM-2941LINCS