EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19N7O2 |
| Net Charge | 0 |
| Average Mass | 389.419 |
| Monoisotopic Mass | 389.16002 |
| SMILES | COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 |
| InChI | InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24) |
| InChIKey | AEULVFLPCJOBCE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-3027 (CHEBI:92814) is a triazolopyrimidines (CHEBI:48435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3027 | LINCS |