EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H21N3O2S |
| Net Charge | 0 |
| Average Mass | 379.485 |
| Monoisotopic Mass | 379.13545 |
| SMILES | CCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O |
| InChI | InChI=1S/C21H21N3O2S/c1-2-23-20(26)16-10-4-5-11-17(16)22-21(23)27-14-19(25)24-13-7-9-15-8-3-6-12-18(15)24/h3-6,8,10-12H,2,7,9,13-14H2,1H3 |
| InChIKey | BUSQYIUUMUMHLP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone (CHEBI:120569) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32012 | LINCS |