EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N6 |
| Net Charge | 0 |
| Average Mass | 306.373 |
| Monoisotopic Mass | 306.15929 |
| SMILES | N#CCC(C1CCCC1)n1cc(-c2ncnc3nccc23)cn1 |
| InChI | InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21) |
| InChIKey | HFNKQEVNSGCOJV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile (CHEBI:91405) is a pyrrolopyrimidine (CHEBI:38670) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1138 | LINCS |