EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H20ClN5O3 |
| Net Charge | 0 |
| Average Mass | 449.898 |
| Monoisotopic Mass | 449.12547 |
| SMILES | COc1ccc(C2CC(c3ccc(Cl)cc3)N=C3N=C(NC(=O)c4ccco4)NN32)cc1 |
| InChI | InChI=1S/C23H20ClN5O3/c1-31-17-10-6-15(7-11-17)19-13-18(14-4-8-16(24)9-5-14)25-23-27-22(28-29(19)23)26-21(30)20-3-2-12-32-20/h2-12,18-19H,13H2,1H3,(H2,25,26,27,28,30) |
| InChIKey | TVHKAQHCZSRLDN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide (CHEBI:121962) is a triazolopyrimidines (CHEBI:48435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33405 | LINCS |