EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H21N5O2S |
| Net Charge | 0 |
| Average Mass | 347.444 |
| Monoisotopic Mass | 347.14160 |
| SMILES | COc1cccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)c1 |
| InChI | InChI=1S/C16H21N5O2S/c1-11-6-3-4-9-21(11)16-20-19-15(24-16)18-14(22)17-12-7-5-8-13(10-12)23-2/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H2,17,18,19,22) |
| InChIKey | JJFHYFRHANDDTO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(3-methoxyphenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea (CHEBI:115732) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27189 | LINCS |