EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H23N5O2 |
| Net Charge | 0 |
| Average Mass | 449.514 |
| Monoisotopic Mass | 449.18517 |
| SMILES | O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccccc4)nn23)CC1 |
| InChI | InChI=1S/C27H23N5O2/c33-27(22-11-16-34-19-22)31-14-12-30(13-15-31)26-18-23(20-7-3-1-4-8-20)28-25-17-24(29-32(25)26)21-9-5-2-6-10-21/h1-11,16-19H,12-15H2 |
| InChIKey | LXXDDDFWVCVQAU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [4-(2,5-diphenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazinyl]-(3-furanyl)methanone (CHEBI:92160) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2184 | LINCS |