EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H23N5O |
| Net Charge | 0 |
| Average Mass | 325.416 |
| Monoisotopic Mass | 325.19026 |
| SMILES | CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)nc2)c1 |
| InChI | InChI=1S/C18H23N5O/c1-22(2)16-5-3-4-14(10-16)15-11-20-18(21-12-15)23-8-6-13(7-9-23)17(19)24/h3-5,10-13H,6-9H2,1-2H3,(H2,19,24) |
| InChIKey | VDUAJERSEOWBGP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[5-[3-(dimethylamino)phenyl]-2-pyrimidinyl]-4-piperidinecarboxamide (CHEBI:93028) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3303 | LINCS |