EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H13N4O2 |
| Net Charge | +1 |
| Average Mass | 245.262 |
| Monoisotopic Mass | 245.10330 |
| SMILES | COc1ccc2nc3c(=O)[n+](N)c(C)nc3c2c1 |
| InChI | InChI=1S/C12H12N4O2/c1-6-14-10-8-5-7(18-2)3-4-9(8)15-11(10)12(17)16(6)13/h3-5H,13H2,1-2H3,(H,15,17)/p+1 |
| InChIKey | QBKNPMYMEYMKTO-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19897 (CHEBI:108522) is a hydroxyindoles (CHEBI:84729) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19897 | LINCS |