EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H30N6O2 |
| Net Charge | 0 |
| Average Mass | 410.522 |
| Monoisotopic Mass | 410.24302 |
| SMILES | CCCCCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)nc(=O)n2C |
| InChI | InChI=1S/C22H30N6O2/c1-3-4-5-9-12-28-18-19(25(2)22(30)24-20(18)29)23-21(28)27-15-13-26(14-16-27)17-10-7-6-8-11-17/h6-8,10-11H,3-5,9,12-16H2,1-2H3,(H,24,29,30) |
| InChIKey | JXYZGKDPFLRYBL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-hexyl-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione (CHEBI:120678) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32120 | LINCS |