EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N4O3S |
| Net Charge | 0 |
| Average Mass | 396.472 |
| Monoisotopic Mass | 396.12561 |
| SMILES | CC(=O)NC1=NC(=O)C(=Cc2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)S1 |
| InChI | InChI=1S/C20H20N4O3S/c1-11-9-15(10-18-19(27)23-20(28-18)22-14(4)26)12(2)24(11)17-7-5-16(6-8-17)21-13(3)25/h5-10H,1-4H3,(H,21,25)(H,22,23,26,27) |
| InChIKey | YCSINBDUZCISEJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-[3-[(2-acetamido-4-oxo-5-thiazolylidene)methyl]-2,5-dimethyl-1-pyrrolyl]phenyl]acetamide (CHEBI:108926) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20324 | LINCS |