EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:90880 - tipiracil(1+)

Default Structure
ChEBI IDCHEBI:90880
ChEBI Nametipiracil(1+)
Stars
DefinitionA carboxamidinium ion obtained by protonation of the amidine function of tipiracil.
Last Modified21 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC9H12ClN4O2
Net Charge+1
Average Mass243.674
Monoisotopic Mass243.06433
SMILES[NH2+]=C1CCCN1Cc1nc(=O)nc(=O)c1Cl
InChIInChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)/p+1
InChIKeyQQHMKNYGKVVGCZ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
tipiracil(1+) (CHEBI:90880) is a carboxamidinium ion (CHEBI:77718)
tipiracil(1+) (CHEBI:90880) is conjugate acid of tipiracil (CHEBI:90879)
Incoming Relation(s)
tipiracil hydrochloride (CHEBI:90877) has part tipiracil(1+) (CHEBI:90880)
tipiracil (CHEBI:90879) is conjugate base of tipiracil(1+) (CHEBI:90880)
IUPAC Name 
1-[(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyrrolidin-2-iminium
Synonym  Source
tipiracil cationChEBI