EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N3O |
| Net Charge | 0 |
| Average Mass | 267.332 |
| Monoisotopic Mass | 267.13716 |
| SMILES | COc1ccccc1NCc1nc2ccccc2n1C |
| InChI | InChI=1S/C16H17N3O/c1-19-14-9-5-3-7-12(14)18-16(19)11-17-13-8-4-6-10-15(13)20-2/h3-10,17H,11H2,1-2H3 |
| InChIKey | CBDQTBNKJFAHNM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methoxy-N-[(1-methyl-2-benzimidazolyl)methyl]aniline (CHEBI:92598) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2747 | LINCS |