| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:00 UTC |
|---|
| Update Date | 2025-03-25 00:59:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237833 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8F3N5OS |
|---|
| Molecular Mass | 291.0402 |
|---|
| SMILES | Nc1nc(SCCC(F)(F)F)nc2ncc(=O)[nH]c12 |
|---|
| InChI Key | WKNNJYBCQQHGGG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pteridines and derivatives |
|---|
| Subclass | pteridines and derivatives |
|---|
| Direct Parent | pteridines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrazinespyrimidines and pyrimidine derivativessulfenyl compounds |
|---|
| Substituents | lactamalkylarylthioetherorganosulfur compoundpteridineorganohalogen compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamsulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic oxygen compoundthioetherpyrazinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
