EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H21N3O2S2 |
| Net Charge | 0 |
| Average Mass | 375.519 |
| Monoisotopic Mass | 375.10752 |
| SMILES | COc1ccc(CCNc2nc(-c3sc(C)nc3C)cs2)cc1OC |
| InChI | InChI=1S/C18H21N3O2S2/c1-11-17(25-12(2)20-11)14-10-24-18(21-14)19-8-7-13-5-6-15(22-3)16(9-13)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,21) |
| InChIKey | VQYVCSPBERHZRU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,4-dimethyl-5-thiazolyl)-2-thiazolamine (CHEBI:104212) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15576 | LINCS |