EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22N4O2S |
| Net Charge | 0 |
| Average Mass | 382.489 |
| Monoisotopic Mass | 382.14635 |
| SMILES | Cc1cc2nc(SCC(=O)Nc3nonc3C)c3c(c2cc1C)CCCC3 |
| InChI | InChI=1S/C20H22N4O2S/c1-11-8-16-14-6-4-5-7-15(14)20(21-17(16)9-12(11)2)27-10-18(25)22-19-13(3)23-26-24-19/h8-9H,4-7,10H2,1-3H3,(H,22,24,25) |
| InChIKey | VJEIHWFCIBHXTM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CHEBI:121746) is a phenanthridines (CHEBI:51245) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33188 | LINCS |