EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H20N4OS |
| Net Charge | 0 |
| Average Mass | 352.463 |
| Monoisotopic Mass | 352.13578 |
| SMILES | O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3s1)N2 |
| InChI | InChI=1S/C19H20N4OS/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23) |
| InChIKey | ODANYRXUIXFPLA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one (CHEBI:109855) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21283 | LINCS |