| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:39 UTC |
|---|
| Update Date | 2025-03-21 17:57:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009994 |
|---|
| Frequency | 768.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6N4O2 |
|---|
| Molecular Mass | 178.0491 |
|---|
| SMILES | Nc1nc(=O)c2ccc(=O)[nH]c2[nH]1 |
|---|
| InChI Key | PYMUASPSYPIGCS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridopyrimidines |
|---|
| Subclass | pyrido[2,3-d]pyrimidines |
|---|
| Direct Parent | pyrido[2,3-d]pyrimidines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridines and derivativespyridinonespyrimidonesvinylogous amides |
|---|
| Substituents | vinylogous amidelactamazacyclepolyhalopyridineheteroaromatic compoundpyrimidonepyrimidineorganic oxidepyridinepyrido[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundpyridinoneamineorganooxygen compound |
|---|
