EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16N4O |
| Net Charge | 0 |
| Average Mass | 244.298 |
| Monoisotopic Mass | 244.13241 |
| SMILES | CC1(c2nc3cccc(C(N)=O)c3n2)CCCN1 |
| InChI | InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17) |
| InChIKey | JNAHVYVRKWKWKQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide (CHEBI:94388) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5067 | LINCS |