EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H25N5O3 |
| Net Charge | 0 |
| Average Mass | 431.496 |
| Monoisotopic Mass | 431.19574 |
| SMILES | Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(N3CCCCCC3)nc12 |
| InChI | InChI=1S/C24H25N5O3/c1-17-8-6-12-29-21(17)27-22(28-10-4-2-3-5-11-28)20(24(29)31)14-18(15-25)23(30)26-16-19-9-7-13-32-19/h6-9,12-14H,2-5,10-11,16H2,1H3,(H,26,30) |
| InChIKey | NYIFFEFWAYPYMW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-(2-furanylmethyl)-2-propenamide (CHEBI:109300) is a pyridopyrimidine (CHEBI:38932) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20698 | LINCS |