CHEBI:90880 - tipiracil(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tipiracil(1+)
ChEBI ID CHEBI:90880
Definition A carboxamidinium ion obtained by protonation of the amidine function of tipiracil.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H12ClN4O2
Net Charge +1
Average Mass 243.670
Monoisotopic Mass 243.06433
InChI InChI=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
InChIKey QQHMKNYGKVVGCZ-UHFFFAOYSA-O
SMILES C1(=C(C(NC(N1)=O)=O)Cl)CN2C(CCC2)=[NH2+]
ChEBI Ontology
Outgoing tipiracil(1+) (CHEBI:90880) is a carboxamidinium ion (CHEBI:77718)
tipiracil(1+) (CHEBI:90880) is conjugate acid of tipiracil (CHEBI:90879)
Incoming 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 cation ChEBI
Last Modified
21 July 2017