EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17ClN4S |
| Net Charge | 0 |
| Average Mass | 332.860 |
| Monoisotopic Mass | 332.08625 |
| SMILES | CNC1=NN=C(c2cc(C)n(-c3ccc(Cl)cc3)c2C)CS1 |
| InChI | InChI=1S/C16H17ClN4S/c1-10-8-14(15-9-22-16(18-3)20-19-15)11(2)21(10)13-6-4-12(17)5-7-13/h4-8H,9H2,1-3H3,(H,18,20) |
| InChIKey | GKGQQMGABWPFEZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-N-methyl-6H-1,3,4-thiadiazin-2-amine (CHEBI:112806) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24216 | LINCS |