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CHEBI:756563 - gs-441326

Default Structure
ChEBI IDCHEBI:756563
ChEBI Namegs-441326
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC13H17FN5O12P3
Net Charge0
Average Mass547.222
Monoisotopic Mass547.00706
SMILESC[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@]1(C#N)c1ccc2c(N)ncnn12
InChIInChI=1S/C13H17FN5O12P3/c1-12(14)10(20)8(4-28-33(24,25)31-34(26,27)30-32(21,22)23)29-13(12,5-15)9-3-2-7-11(16)17-6-18-19(7)9/h2-3,6,8,10,20H,4H2,1H3,(H,24,25)(H,26,27)(H2,16,17,18)(H2,21,22,23)/t8-,10-,12-,13+/m1/s1
InChIKeyWZMSOZDWQGLRBL-DXLKZPDWSA-N
ChEBI Ontology
Outgoing Relation(s)
gs-441326 (CHEBI:756563) is a pyrrolotriazine (CHEBI:88341)
Synonym  Source
Gs-441326ChEMBL
Citations