EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H21FN5 |
| Net Charge | +1 |
| Average Mass | 314.388 |
| Monoisotopic Mass | 314.17755 |
| SMILES | CCN1CCCC1CNc1[nH+]cnc2c1nc1ccc(F)cc12 |
| InChI | InChI=1S/C17H20FN5/c1-2-23-7-3-4-12(23)9-19-17-16-15(20-10-21-17)13-8-11(18)5-6-14(13)22-16/h5-6,8,10,12,22H,2-4,7,9H2,1H3,(H,19,20,21)/p+1 |
| InChIKey | HTCJXUVQHIRXAM-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-32669 (CHEBI:121226) is a pyrrolopyrimidine (CHEBI:38670) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32669 | LINCS |