thiouracil (CHEBI:348530)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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.

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C4H4N2OS

Net Charge

Average Mass

128.15200

Monoisotopic Mass

128.00443

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.

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

Last Modified

22 February 2017