The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

thiouracil

Synonyms

C4H4N2OS

2-Mercapto-pyrimidin-4-ol

2-Thioxo-2,3-dihydro-1H-pyrimidin-4-one

2-mercapto-4-pyrimidinol

2-thioxo-2,3-dihydropyrimidin-4(1H)-one

2-Thio-2,4-(1H,3H)-pyrimidinedione

2-Thiouracil

ID

http://purl.obolibrary.org/obo/CHEBI_348530

Definition

A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.

has role

http://purl.obolibrary.org/obo/CHEBI_26619

http://purl.obolibrary.org/obo/CHEBI_50671

InChI

InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

InChIKey

InChIKey=ZEMGGZBWXRYJHK-UHFFFAOYSA-N

label

thiouracil

prefixIRI

obo2:CHEBI_348530

prefLabel

thiouracil

SMILES

O=c1cc[nH]c(=S)[nH]1

Synonym

C4H4N2OS

2-Mercapto-pyrimidin-4-ol

2-Thioxo-2,3-dihydro-1H-pyrimidin-4-one

2-mercapto-4-pyrimidinol

2-thioxo-2,3-dihydropyrimidin-4(1H)-one

2-Thio-2,4-(1H,3H)-pyrimidinedione

2-Thiouracil

xref

CiteXplore:3654008

CiteXplore:23739752

Beilstein:112227

Reaxys:112227

CiteXplore:23740976

CiteXplore:4316226

Wikipedia:Thiouracil

NIST Chemistry WebBook:141-90-2

CASRN:141-90-2

ChEMBL:8978847

CiteXplore:8068712

CiteXplore:11094150

ChEMBL:7120285

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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