EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121265 - 2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester

ChEBI IDCHEBI:121265
ChEBI Name2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC18H17N3O3S
Net Charge0
Average Mass355.419
Monoisotopic Mass355.09906
SMILESCC(C)OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C18H17N3O3S/c1-12(2)24-18(23)14-6-5-8-19-17(14)25-11-13-10-16(22)21-9-4-3-7-15(21)20-13/h3-10,12H,11H2,1-2H3
InChIKeyUOTNPZBZBVJXSL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester (CHEBI:121265) is a isopropyl ester (CHEBI:35725)
2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester (CHEBI:121265) is a pyridopyrimidine (CHEBI:38932)
Manual XrefsDatabases
LSM-32708LINCS