EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H20N4O2S |
| Net Charge | 0 |
| Average Mass | 416.506 |
| Monoisotopic Mass | 416.13070 |
| SMILES | Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 |
| InChI | InChI=1S/C23H20N4O2S/c1-15-13-16(2)25-23(24-15)30-14-19(28)26-22-27-20(17-9-5-3-6-10-17)21(29-22)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3,(H,26,27,28) |
| InChIKey | PPZRWTWOIPKTKX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide (CHEBI:114742) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26204 | LINCS |