EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N6O2S |
| Net Charge | 0 |
| Average Mass | 370.438 |
| Monoisotopic Mass | 370.12119 |
| SMILES | O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCC1CCCO1 |
| InChI | InChI=1S/C17H18N6O2S/c24-15(19-10-13-4-2-8-25-13)11-26-16-6-5-14-20-21-17(23(14)22-16)12-3-1-7-18-9-12/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,19,24) |
| InChIKey | JSQCYWGKEFQZMS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-oxolanylmethyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide (CHEBI:105863) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17224 | LINCS |