EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H23N5O2S |
| Net Charge | 0 |
| Average Mass | 385.493 |
| Monoisotopic Mass | 385.15725 |
| SMILES | COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1 |
| InChI | InChI=1S/C19H23N5O2S/c1-13-11-17(18(25)12-27-19-20-21-22-23(19)3)14(2)24(13)10-9-15-5-7-16(26-4)8-6-15/h5-8,11H,9-10,12H2,1-4H3 |
| InChIKey | RTWHSJKDYVQEKV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone (CHEBI:119823) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31267 | LINCS |