EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H17N5OS |
| Net Charge | 0 |
| Average Mass | 339.424 |
| Monoisotopic Mass | 339.11538 |
| SMILES | CC1CC(c2ccccc2)N2NC(NC(=O)c3cccs3)=NC2=N1 |
| InChI | InChI=1S/C17H17N5OS/c1-11-10-13(12-6-3-2-4-7-12)22-17(18-11)20-16(21-22)19-15(23)14-8-5-9-24-14/h2-9,11,13H,10H2,1H3,(H2,18,19,20,21,23) |
| InChIKey | CCINCLDHAAVHKZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-methyl-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-thiophenecarboxamide (CHEBI:107445) is a triazolopyrimidines (CHEBI:48435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18800 | LINCS |