EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H20ClN5 |
| Net Charge | 0 |
| Average Mass | 353.857 |
| Monoisotopic Mass | 353.14072 |
| SMILES | CCc1ccc(C2CC(c3ccc(Cl)cc3)N3NC(N)=NC3=N2)cc1 |
| InChI | InChI=1S/C19H20ClN5/c1-2-12-3-5-13(6-4-12)16-11-17(14-7-9-15(20)10-8-14)25-19(22-16)23-18(21)24-25/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24) |
| InChIKey | WDUSFYWTQRYAEV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-(4-chlorophenyl)-5-(4-ethylphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CHEBI:108376) is a triazolopyrimidines (CHEBI:48435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19752 | LINCS |