EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H27ClN6O2 |
| Net Charge | 0 |
| Average Mass | 430.940 |
| Monoisotopic Mass | 430.18840 |
| SMILES | CCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)nc(=O)n2C |
| InChI | InChI=1S/C21H27ClN6O2/c1-3-4-5-9-28-17-18(25(2)21(30)24-19(17)29)23-20(28)27-12-10-26(11-13-27)16-8-6-7-15(22)14-16/h6-8,14H,3-5,9-13H2,1-2H3,(H,24,29,30) |
| InChIKey | ZWHCMCUJSHPCFE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-pentylpurine-2,6-dione (CHEBI:117229) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28678 | LINCS |