EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H13ClN6OS |
| Net Charge | 0 |
| Average Mass | 348.819 |
| Monoisotopic Mass | 348.05601 |
| SMILES | Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2c(N)n1 |
| InChI | InChI=1S/C14H13ClN6OS/c1-8-6-11-19-20-14(21(11)13(16)17-8)23-7-12(22)18-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H2,16,17)(H,18,22) |
| InChIKey | GIPWSAVGTCOAIJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(4-chlorophenyl)acetamide (CHEBI:105886) is a triazolopyrimidines (CHEBI:48435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17247 | LINCS |