EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H16N4O3S |
| Net Charge | 0 |
| Average Mass | 392.440 |
| Monoisotopic Mass | 392.09431 |
| SMILES | COc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)n3)n2)cc1 |
| InChI | InChI=1S/C20H16N4O3S/c1-26-15-9-7-14(8-10-15)19-23-18(27-24-19)12-28-20-21-16(11-17(25)22-20)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22,25) |
| InChIKey | OKRBGIJXAFJLOR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-phenyl-1H-pyrimidin-4-one (CHEBI:111212) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22668 | LINCS |