EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19N5O2S |
| Net Charge | 0 |
| Average Mass | 369.450 |
| Monoisotopic Mass | 369.12595 |
| SMILES | C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(N)=O |
| InChI | InChI=1S/C18H19N5O2S/c1-3-9-23-16(21-22-18(23)26-11-15(19)24)10-25-14-6-4-5-13-8-7-12(2)20-17(13)14/h3-8H,1,9-11H2,2H3,(H2,19,24) |
| InChIKey | HCRIJAADNQZZJZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[5-[(2-methyl-8-quinolinyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:116591) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28046 | LINCS |