CHEBI:348530 - thiouracil

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ChEBI Name thiouracil
ChEBI ID CHEBI:348530
Definition A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4H4N2OS
Net Charge 0
Average Mass 128.15200
Monoisotopic Mass 128.004
InChI InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey ZEMGGZBWXRYJHK-UHFFFAOYSA-N
SMILES O=c1cc[nH]c(=S)[nH]1
Roles Classification
Biological Role(s): 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(s): antithyroid drug
A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
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ChEBI Ontology
Outgoing 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 Sources
2-mercapto-4-pyrimidinol NIST Chemistry WebBook
2-Mercapto-pyrimidin-4-ol ChEMBL
2-Thio-2,4-(1H,3H)-pyrimidinedione ChemIDplus
2-Thiouracil NIST Chemistry WebBook
2-Thioxo-2,3-dihydro-1H-pyrimidin-4-one ChEMBL
4-Hydroxy-2-pyrimidinethiol KEGG COMPOUND
Manual Xrefs Databases
2640 DrugCentral
C19304 KEGG COMPOUND
Thiouracil Wikipedia
View more database links
Registry Numbers Types Sources
112227 Beilstein Registry Number Beilstein
112227 Reaxys Registry Number Reaxys
141-90-2 CAS Registry Number KEGG COMPOUND
141-90-2 CAS Registry Number NIST Chemistry WebBook
141-90-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11094150 PubMed citation Europe PMC
23739752 PubMed citation Europe PMC
23740976 PubMed citation Europe PMC
3654008 PubMed citation Europe PMC
4316226 PubMed citation Europe PMC
7120285 PubMed citation ChEMBL
8068712 PubMed citation Europe PMC
8978847 PubMed citation ChEMBL
Last Modified
22 February 2017