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CHEBI:348530 - thiouracil

Default Structure
ChEBI IDCHEBI:348530
ChEBI Namethiouracil
Stars
DefinitionA nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.
Last Modified22 February 2017
DownloadsMolfile
FormulaC4H4N2OS
Net Charge0
Average Mass128.156
Monoisotopic Mass128.00443
SMILESO=c1ccnc(=S)n1
InChIInChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyZEMGGZBWXRYJHK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antithyroid drug  A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antithyroid drug  A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
ChEBI Ontology
Outgoing Relation(s)
thiouracil (CHEBI:348530) has functional parent uracil (CHEBI:17568)
thiouracil (CHEBI:348530) has role antithyroid drug (CHEBI:50671)
thiouracil (CHEBI:348530) has role metabolite (CHEBI:25212)
thiouracil (CHEBI:348530) is a nucleobase analogue (CHEBI:67142)
thiouracil (CHEBI:348530) is a thiocarbonyl compound (CHEBI:50492)
IUPAC Name 
2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Synonyms  Source
2-mercapto-4-pyrimidinolNIST Chemistry WebBook
2-Mercapto-pyrimidin-4-olChEMBL
2-Thio-2,4-(1H,3H)-pyrimidinedioneChemIDplus
2-ThiouracilNIST Chemistry WebBook
2-Thioxo-2,3-dihydro-1H-pyrimidin-4-oneChEMBL
4-Hydroxy-2-pyrimidinethiolKEGG COMPOUND
Manual XrefsDatabases
2640DrugCentral
C19304KEGG COMPOUND
ThiouracilWikipedia
Registry NumbersSources
Reaxys:112227Reaxys
CAS:141-90-2NIST Chemistry WebBook
CAS:141-90-2KEGG COMPOUND
CAS:141-90-2ChemIDplus
Citations