EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H16N4O3S |
| Net Charge | 0 |
| Average Mass | 392.440 |
| Monoisotopic Mass | 392.09431 |
| SMILES | Cc1sc(NC(=O)Cn2nc(=O)c3ccccc3c2=O)nc1-c1ccccc1 |
| InChI | InChI=1S/C20H16N4O3S/c1-12-17(13-7-3-2-4-8-13)22-20(28-12)21-16(25)11-24-19(27)15-10-6-5-9-14(15)18(26)23-24/h2-10H,11H2,1H3,(H,23,26)(H,21,22,25) |
| InChIKey | YDCIWBQGMNWGIG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-2-thiazolyl)acetamide (CHEBI:109071) is a phthalazines (CHEBI:38768) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20469 | LINCS |