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CHEBI:109107 - 4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:109107
ChEBI Name4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
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FormulaC16H17N3O4S
Net Charge0
Average Mass347.396
Monoisotopic Mass347.09398
SMILESCCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)n2)cc1
InChIInChI=1S/C16H17N3O4S/c1-3-23-15(22)11-4-6-12(7-5-11)18-14(21)9-24-16-17-10(2)8-13(20)19-16/h4-8H,3,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyMPTMBWCEQLUCHP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (CHEBI:109107) is a amidobenzoic acid (CHEBI:48470)
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