EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H23N4O3 |
| Net Charge | +1 |
| Average Mass | 343.407 |
| Monoisotopic Mass | 343.17647 |
| SMILES | COc1ccc2nc3c(=O)[n+](CCCN4CCOCC4)cnc3c2c1 |
| InChI | InChI=1S/C18H22N4O3/c1-24-13-3-4-15-14(11-13)16-17(20-15)18(23)22(12-19-16)6-2-5-21-7-9-25-10-8-21/h3-4,11-12H,2,5-10H2,1H3,(H,20,23)/p+1 |
| InChIKey | ZKPSORIPIJRIGZ-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-24640 (CHEBI:113229) is a pyrimido-indole (CHEBI:146266) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24640 | LINCS |