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CHEBI:105827 - 2-(butylthio)-4-oxo-1H-pyrimidine-6-carboxylic acid

ChEBI IDCHEBI:105827
ChEBI Name2-(butylthio)-4-oxo-1H-pyrimidine-6-carboxylic acid
Stars
DownloadsMolfile
FormulaC9H12N2O3S
Net Charge0
Average Mass228.273
Monoisotopic Mass228.05686
SMILESCCCCSc1nc(C(=O)O)cc(=O)n1
InChIInChI=1S/C9H12N2O3S/c1-2-3-4-15-9-10-6(8(13)14)5-7(12)11-9/h5H,2-4H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyNUBJVMLEUWMEQU-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)
2-(butylthio)-4-oxo-1H-pyrimidine-6-carboxylic acid (CHEBI:105827) is a pyrimidinecarboxylic acid (CHEBI:78574)
Manual XrefsDatabases
LSM-17188LINCS