EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H25N5O2 |
| Net Charge | 0 |
| Average Mass | 379.464 |
| Monoisotopic Mass | 379.20083 |
| SMILES | O=C(Nc1cc(C2CCCC2)nn1)C1=CC2=NC(=O)N(C3CCCC3)C2C=C1 |
| InChI | InChI=1S/C21H25N5O2/c27-20(23-19-12-16(24-25-19)13-5-1-2-6-13)14-9-10-18-17(11-14)22-21(28)26(18)15-7-3-4-8-15/h9-13,15,18H,1-8H2,(H2,23,24,25,27) |
| InChIKey | GSKXGLPLWJLYNR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| SR-1815 (CHEBI:747379) is a organic molecular entity (CHEBI:50860) |
| Registry Numbers | Sources |
|---|---|
| CAS:2636710-78-4 | CAS |