EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H14N5O |
| Net Charge | +1 |
| Average Mass | 256.289 |
| Monoisotopic Mass | 256.11929 |
| SMILES | COc1ccccc1CNc1[nH+]cnc2ncnc12 |
| InChI | InChI=1S/C13H13N5O/c1-19-10-5-3-2-4-9(10)6-14-12-11-13(16-7-15-11)18-8-17-12/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18)/p+1 |
| InChIKey | STWJKIOLMNHFIK-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-32859 (CHEBI:121416) is a thiopurine (CHEBI:35666) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32859 | LINCS |