EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N5O |
| Net Charge | 0 |
| Average Mass | 255.281 |
| Monoisotopic Mass | 255.11201 |
| SMILES | O=C(CCn1ccnc1)Nc1nc2ccccc2n1 |
| InChI | InChI=1S/C13H13N5O/c19-12(5-7-18-8-6-14-9-18)17-13-15-10-3-1-2-4-11(10)16-13/h1-4,6,8-9H,5,7H2,(H2,15,16,17,19) |
| InChIKey | BLYZZTHKYSHFFC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1H-benzimidazol-2-yl)-3-(1-imidazolyl)propanamide (CHEBI:120031) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31474 | LINCS |