EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H24N4OS |
| Net Charge | 0 |
| Average Mass | 404.539 |
| Monoisotopic Mass | 404.16708 |
| SMILES | N#CC1=C(N)N=C(SCc2cccc3ccccc23)C(C(N)=O)C12CCCCC2 |
| InChI | InChI=1S/C23H24N4OS/c24-13-18-20(25)27-22(19(21(26)28)23(18)11-4-1-5-12-23)29-14-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10,19H,1,4-5,11-12,14,25H2,(H2,26,28) |
| InChIKey | VCRLZNBGAQEQIJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-amino-5-cyano-2-(1-naphthalenylmethylthio)-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide (CHEBI:115726) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27183 | LINCS |