EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H20N6O3 |
| Net Charge | 0 |
| Average Mass | 404.430 |
| Monoisotopic Mass | 404.15969 |
| SMILES | Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccccc2)c2ccccn2)n(C)c1=O |
| InChI | InChI=1S/C21H20N6O3/c1-24-19-18(20(29)25(2)21(24)30)26(14-23-19)13-17(28)27(16-10-6-7-11-22-16)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3 |
| InChIKey | FYWLRYXTDCBFCZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)-N-(2-pyridinyl)acetamide (CHEBI:107386) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18740 | LINCS |