EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N5O |
| Net Charge | +1 |
| Average Mass | 360.441 |
| Monoisotopic Mass | 360.18189 |
| SMILES | COc1ccc(N2CCN(c3[nH+]cnc4c3nc3ccccc34)CC2)cc1 |
| InChI | InChI=1S/C21H21N5O/c1-27-16-8-6-15(7-9-16)25-10-12-26(13-11-25)21-20-19(22-14-23-21)17-4-2-3-5-18(17)24-20/h2-9,14,24H,10-13H2,1H3/p+1 |
| InChIKey | LFTVZXRUGJNGFT-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-32143 (CHEBI:120701) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32143 | LINCS |