EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109040 - 1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:109040
ChEBI Name1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC21H23N5O4S
Net Charge0
Average Mass441.513
Monoisotopic Mass441.14708
SMILESCCOC(=O)C1CCCN(c2ccc(NC(=O)c3snc4c(=O)nc(C)nc34)cc2)C1
InChIInChI=1S/C21H23N5O4S/c1-3-30-21(29)13-5-4-10-26(11-13)15-8-6-14(7-9-15)24-20(28)18-16-17(25-31-18)19(27)23-12(2)22-16/h6-9,13H,3-5,10-11H2,1-2H3,(H,24,28)(H,22,23,27)
InChIKeySOMRSGZDUWXXCH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester (CHEBI:109040) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-20438LINCS