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CHEBI:107090 - 2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester

ChEBI IDCHEBI:107090
ChEBI Name2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC20H20N4O5S2
Net Charge0
Average Mass460.537
Monoisotopic Mass460.08751
SMILESCCOC(=O)c1sc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)n2)nc1C
InChIInChI=1S/C20H20N4O5S2/c1-3-29-18(28)15-11(2)21-20(31-15)22-14(25)10-30-19-23-16(26)13(17(27)24-19)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,21,22,25)(H2,23,24,26,27)
InChIKeyQUQPWHIAVSOQNF-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)
2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester (CHEBI:107090) is a aromatic carboxylic acid (CHEBI:33859)
2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester (CHEBI:107090) is a thiazoles (CHEBI:48901)
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