EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H24N4O3 |
| Net Charge | 0 |
| Average Mass | 392.459 |
| Monoisotopic Mass | 392.18484 |
| SMILES | CCOc1ccc2nc3c(NCCc4ccc(OC)c(OC)c4)ncnc3c2c1 |
| InChI | InChI=1S/C22H24N4O3/c1-4-29-15-6-7-17-16(12-15)20-21(26-17)22(25-13-24-20)23-10-9-14-5-8-18(27-2)19(11-14)28-3/h5-8,11-13,26H,4,9-10H2,1-3H3,(H,23,24,25) |
| InChIKey | BEIGZMUAVKDCQI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine (CHEBI:104893) is a pyrimido-indole (CHEBI:146266) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16255 | LINCS |