| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:03 UTC |
|---|
| Update Date | 2025-03-21 18:39:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124769 |
|---|
| Frequency | 20.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12N4S2 |
|---|
| Molecular Mass | 240.0503 |
|---|
| SMILES | Cc1ncc(CSCCN=C=S)c(N)n1 |
|---|
| InChI Key | PKNYQQRIYFZFEP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrimidines and pyrimidine derivatives |
|---|
| Direct Parent | pyrimidines and pyrimidine derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsisothiocyanatesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
|---|
| Substituents | isothiocyanatesulfenyl compoundaromatic heteromonocyclic compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundorganosulfur compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamine |
|---|
