EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H25N5O2 |
| Net Charge | 0 |
| Average Mass | 427.508 |
| Monoisotopic Mass | 427.20083 |
| SMILES | CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 |
| InChI | InChI=1S/C25H25N5O2/c1-4-32-15-7-14-29-17(3)26-23-21(25(29)31)22-24(28-20-9-6-5-8-19(20)27-22)30(23)18-12-10-16(2)11-13-18/h5-6,8-13H,4,7,14-15H2,1-3H3 |
| InChIKey | RVSHAXBUAZBZIX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-23602 (CHEBI:112190) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23602 | LINCS |