EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H20N4O4S2 |
| Net Charge | 0 |
| Average Mass | 456.549 |
| Monoisotopic Mass | 456.09260 |
| SMILES | O=C(O)CCCCCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccsc2c1=O |
| InChI | InChI=1S/C21H20N4O4S2/c26-17-12-14(22-16-6-3-5-9-24(16)17)13-31-21-23-15-8-11-30-19(15)20(29)25(21)10-4-1-2-7-18(27)28/h3,5-6,8-9,11-12H,1-2,4,7,10,13H2,(H,27,28) |
| InChIKey | DKGBFEOLOMYBAT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]hexanoic acid (CHEBI:108359) is a pyridopyrimidine (CHEBI:38932) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19735 | LINCS |