EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H15N5OS |
| Net Charge | 0 |
| Average Mass | 289.364 |
| Monoisotopic Mass | 289.09973 |
| SMILES | O=C(Nc1cccs1)N1CCN(c2ncccn2)CC1 |
| InChI | InChI=1S/C13H15N5OS/c19-13(16-11-3-1-10-20-11)18-8-6-17(7-9-18)12-14-4-2-5-15-12/h1-5,10H,6-9H2,(H,16,19) |
| InChIKey | RKSKZPWGNXGYPE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | MetaboLights (MTBLS8662) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(2-pyrimidinyl)-N-(2-thienyl)tetrahydro-1(2H)-pyrazinecarboxamide (CHEBI:228716) is a N-arylpiperazine (CHEBI:46848) |
| IUPAC Name |
|---|
| 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide |
| Manual Xrefs | Databases |
|---|---|
| 2093924 | ChemSpider |