EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N5O5S |
| Net Charge | 0 |
| Average Mass | 429.458 |
| Monoisotopic Mass | 429.11069 |
| SMILES | COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC |
| InChI | InChI=1S/C19H19N5O5S/c1-26-14-6-4-13(10-16(14)27-2)24-19(21-22-23-24)30-11-18(25)20-12-3-5-15-17(9-12)29-8-7-28-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,25) |
| InChIKey | WRRGFFYTLWGXFT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide (CHEBI:121326) is a tetrazoles (CHEBI:35689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32769 | LINCS |