EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H21N5OS2 |
| Net Charge | 0 |
| Average Mass | 339.490 |
| Monoisotopic Mass | 339.11875 |
| SMILES | CCN1CCCC(Sc2nc3c(=S)n(C)c(=O)n(C)c3n2)C1 |
| InChI | InChI=1S/C14H21N5OS2/c1-4-19-7-5-6-9(8-19)22-13-15-10-11(16-13)17(2)14(20)18(3)12(10)21/h9H,4-8H2,1-3H3,(H,15,16) |
| InChIKey | APLDNAXBEDLBDA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one (CHEBI:111237) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22693 | LINCS |