| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:28 UTC |
|---|
| Update Date | 2025-03-25 00:53:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200034 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7N5 |
|---|
| Molecular Mass | 173.0701 |
|---|
| SMILES | Cn1cc(C#N)c2c(N)ncnc21 |
|---|
| InChI Key | VFOASXSAIQCSMN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolopyrimidines |
|---|
| Subclass | pyrrolo[2,3-d]pyrimidines |
|---|
| Direct Parent | pyrrolo[2,3-d]pyrimidines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsn-methylpyrrolesnitrilesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessubstituted pyrroles |
|---|
| Substituents | n-methylpyrrolenitrileazacycleheteroaromatic compoundsubstituted pyrrolepyrimidinepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamaminecarbonitrile |
|---|
