EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H25N5O2S |
| Net Charge | 0 |
| Average Mass | 411.531 |
| Monoisotopic Mass | 411.17290 |
| SMILES | COc1ccc(N2CCN(CCCn3c(=S)nc4ncccc4c3=O)CC2)cc1 |
| InChI | InChI=1S/C21H25N5O2S/c1-28-17-7-5-16(6-8-17)25-14-12-24(13-15-25)10-3-11-26-20(27)18-4-2-9-22-19(18)23-21(26)29/h2,4-9H,3,10-15H2,1H3,(H,22,23,29) |
| InChIKey | MTLRKPKUSXGNGX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (CHEBI:117204) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28653 | LINCS |