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CHEBI:115627 - 2-[[7-(3-chlorobut-2-enyl)-3-methyl-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester

ChEBI IDCHEBI:115627
ChEBI Name2-[[7-(3-chlorobut-2-enyl)-3-methyl-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester
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DownloadsMolfile
FormulaC16H21ClN4O4S
Net Charge0
Average Mass400.888
Monoisotopic Mass400.09720
SMILESCCOC(=O)C(CC)Sc1nc2c(c(=O)nc(=O)n2C)n1CC=C(C)Cl
InChIInChI=1S/C16H21ClN4O4S/c1-5-10(14(23)25-6-2)26-16-18-12-11(21(16)8-7-9(3)17)13(22)19-15(24)20(12)4/h7,10H,5-6,8H2,1-4H3,(H,19,22,24)
InChIKeyWCEQHYBVVNNHCD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[7-(3-chlorobut-2-enyl)-3-methyl-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester (CHEBI:115627) is a oxopurine (CHEBI:25810)
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LSM-27084LINCS