| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:38 UTC |
|---|
| Update Date | 2025-03-25 00:54:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02204981 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12F3N5O3S2 |
|---|
| Molecular Mass | 371.0334 |
|---|
| SMILES | O=S(=O)(O)CCNc1nc(SCCC(F)(F)F)nc2nc[nH]c12 |
|---|
| InChI Key | VBKBGHBATVLDSS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | imidazopyrimidines |
|---|
| Subclass | purines and purine derivatives |
|---|
| Direct Parent | purines and purine derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic oxidesorganofluoridesorganopnictogen compoundsorganosulfonic acidspyrimidines and pyrimidine derivativessecondary alkylarylaminessulfenyl compoundssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesorganosulfonic acidalkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamazolesulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioetherhydrocarbon derivativepurineorganic nitrogen compoundamine |
|---|
