4-(3-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-5-methoxyphenyl)pyridine 1-oxide
- Other Name: 6-Ethyl-5-[3-[3-methoxy-5-(1-oxidopyridin-1-ium-4-yl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine
- InChIKey: PBYLESSQIWZUEG-UHFFFAOYSA-N
- InChI: InChI=1S/C22H23N5O2/c1-4-20-19(21(23)26-22(24)25-20)6-5-14(2)16-11-17(13-18(12-16)29-3)15-7-9-27(28)10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,25,26)
- SMILES: CCC1=C(C(=NC(=N1)N)N)C#CC(C)C2=CC(=CC(=C2)C3=CC=[N+](C=C3)[O-])OC
- Exact Mass: 389.18517
- Molecular Formula: C22H23N5O2
-
Compound CID:
118753221
118753221
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.