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CHEBI:749984 - piritrexim isethionate

Default Structure
ChEBI IDCHEBI:749984
ChEBI Namepiritrexim isethionate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC2H6O4S.C17H19N5O2
Net Charge0
Average Mass451.505
Monoisotopic Mass451.15255
SMILESCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1.O=S(=O)(O)CCO
InChIInChI=1S/C17H19N5O2.C2H6O4S/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16;3-1-2-7(4,5)6/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22);3H,1-2H2,(H,4,5,6)
InChIKeyIOEMETRLOWNXGW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
piritrexim isethionate (CHEBI:749984) is a pyridopyrimidine (CHEBI:38932)
Synonyms  Source
BW 301U ISETHIONATEChEMBL
BW-301U ISETHIONATEChEMBL
NSC-351521ChEMBL
Piritrexim isethionateChEMBL
Piritrexim isetionateChEMBL