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CHEBI:107561 - 1-[4-[[oxo-(7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)methyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:107561
ChEBI Name1-[4-[[oxo-(7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)methyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC20H21N5O4S
Net Charge0
Average Mass427.486
Monoisotopic Mass427.13143
SMILESCCOC(=O)C1CCCN(c2ccc(NC(=O)c3snc4c(=O)ncnc34)cc2)C1
InChIInChI=1S/C20H21N5O4S/c1-2-29-20(28)12-4-3-9-25(10-12)14-7-5-13(6-8-14)23-19(27)17-15-16(24-30-17)18(26)22-11-21-15/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,27)(H,21,22,26)
InChIKeyYCRRQQUNXHMDLQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[4-[[oxo-(7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)methyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester (CHEBI:107561) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-18917LINCS