| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:57 UTC |
|---|
| Update Date | 2025-03-25 00:59:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237714 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13N5 |
|---|
| Molecular Mass | 227.1171 |
|---|
| SMILES | Nc1ncnc2c1CCC(c1cccnc1)N2 |
|---|
| InChI Key | NHVSYQYZKCACOR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridopyrimidines |
|---|
| Subclass | pyridopyrimidines |
|---|
| Direct Parent | pyridopyrimidines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganopnictogen compoundsprimary aminespyridines and derivativespyrimidines and pyrimidine derivativessecondary alkylarylamines |
|---|
| Substituents | azacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminepyrimidinepyridinearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamine |
|---|
