EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N4O3S |
| Net Charge | 0 |
| Average Mass | 320.374 |
| Monoisotopic Mass | 320.09431 |
| SMILES | CC(C)n1nnnc1SCC(=O)c1ccc2c(c1)OCCO2 |
| InChI | InChI=1S/C14H16N4O3S/c1-9(2)18-14(15-16-17-18)22-8-11(19)10-3-4-12-13(7-10)21-6-5-20-12/h3-4,7,9H,5-6,8H2,1-2H3 |
| InChIKey | RYINBEFZQUPVNQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone (CHEBI:108212) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19589 | LINCS |