EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19N3O3S |
| Net Charge | 0 |
| Average Mass | 381.457 |
| Monoisotopic Mass | 381.11471 |
| SMILES | COc1ccc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1 |
| InChI | InChI=1S/C20H19N3O3S/c1-25-15-6-4-14(5-7-15)17-9-19(24)23-12-22(11-16-3-2-8-26-16)13-27-20(23)18(17)10-21/h2-8,17H,9,11-13H2,1H3 |
| InChIKey | AJHNSIOCFMVBSS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(2-furanylmethyl)-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CHEBI:109203) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20600 | LINCS |