EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H20N7OS |
| Net Charge | +1 |
| Average Mass | 370.462 |
| Monoisotopic Mass | 370.14446 |
| SMILES | Nc1nc[nH+]c2nc(SCC(=O)N3CCN(c4ccccc4)CC3)nc12 |
| InChI | InChI=1S/C17H19N7OS/c18-15-14-16(20-11-19-15)22-17(21-14)26-10-13(25)24-8-6-23(7-9-24)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H3,18,19,20,21,22)/p+1 |
| InChIKey | NPECIKNPNFLFCI-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-18778 (CHEBI:107424) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18778 | LINCS |