EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H18N4O2 |
| Net Charge | 0 |
| Average Mass | 298.346 |
| Monoisotopic Mass | 298.14298 |
| SMILES | CCCC1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |
| InChI | InChI=1S/C16H18N4O2/c1-2-5-12-15(10-19)13(20)22-16(21-12)7-4-3-6-11(16)14(15,8-17)9-18/h11-12,20H,2-7H2,1H3 |
| InChIKey | GXTWAXDCKTXFAL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-24581 (CHEBI:113170) is a ketal (CHEBI:59777) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24581 | LINCS |