EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H14ClN5O2 |
| Net Charge | 0 |
| Average Mass | 379.807 |
| Monoisotopic Mass | 379.08360 |
| SMILES | Cc1cccc(-n2c(=O)nc3c(C(N)=O)nc(-c4ccccc4Cl)nc32)c1 |
| InChI | InChI=1S/C19H14ClN5O2/c1-10-5-4-6-11(9-10)25-18-15(23-19(25)27)14(16(21)26)22-17(24-18)12-7-2-3-8-13(12)20/h2-9H,1H3,(H2,21,26)(H,23,27) |
| InChIKey | VHMKHPSWWIOTKE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (CHEBI:117020) is a imidazoles (CHEBI:24780) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28468 | LINCS |