EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19N3O2 |
| Net Charge | 0 |
| Average Mass | 309.369 |
| Monoisotopic Mass | 309.14773 |
| SMILES | COc1ccc(-n2nc3c4c(ncc3c2=O)CCCCC4)cc1 |
| InChI | InChI=1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3 |
| InChIKey | UBLXQFIFWUEVGJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-3520 (CHEBI:93192) is a pyrazoles (CHEBI:26410) |
| LSM-3520 (CHEBI:93192) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3520 | LINCS |