EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H17N3O2S |
| Net Charge | 0 |
| Average Mass | 375.453 |
| Monoisotopic Mass | 375.10415 |
| SMILES | c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1 |
| InChI | InChI=1S/C21H17N3O2S/c1-2-16(27-9-1)12-22-21-17-10-14(3-5-18(17)23-13-24-21)15-4-6-19-20(11-15)26-8-7-25-19/h1-6,9-11,13H,7-8,12H2,(H,22,23,24) |
| InChIKey | GFOASKPCKCZBDL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine (CHEBI:92887) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3128 | LINCS |