EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:92346 - 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid

ChEBI IDCHEBI:92346
ChEBI Name4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid
Stars
DownloadsMolfile
FormulaC15H14N2O3S
Net Charge0
Average Mass302.355
Monoisotopic Mass302.07251
SMILESO=C(O)c1ccc(CSc2nc3c(c(=O)n2)CCC3)cc1
InChIInChI=1S/C15H14N2O3S/c18-13-11-2-1-3-12(11)16-15(17-13)21-8-9-4-6-10(7-5-9)14(19)20/h4-7H,1-3,8H2,(H,19,20)(H,16,17,18)
InChIKeyUFCNXRFIGHNKSK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid (CHEBI:92346) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-2423LINCS