EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H16N2O |
| Net Charge | 0 |
| Average Mass | 204.273 |
| Monoisotopic Mass | 204.12626 |
| SMILES | Cc1ccc(CN2CCCNC2=O)cc1 |
| InChI | InChI=1S/C12H16N2O/c1-10-3-5-11(6-4-10)9-14-8-2-7-13-12(14)15/h3-6H,2,7-9H2,1H3,(H,13,15) |
| InChIKey | XAKRTOIHMJCULO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(4-methylphenyl)methyl]-1,3-diazinan-2-one (CHEBI:120669) is a pyrimidone (CHEBI:38337) |
| 1-[(4-methylphenyl)methyl]-1,3-diazinan-2-one (CHEBI:120669) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32111 | LINCS |