EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:109305 - 4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexyl]-1-piperazinecarboxylic acid ethyl ester
| Formula | C19H26N4O4S2 |
| Net Charge | 0 |
| Average Mass | 438.575 |
| Monoisotopic Mass | 438.13955 |
| SMILES | CCOC(=O)N1CCN(C(=O)CCCCCn2c(=S)nc3ccsc3c2=O)CC1 |
| InChI | InChI=1S/C19H26N4O4S2/c1-2-27-19(26)22-11-9-21(10-12-22)15(24)6-4-3-5-8-23-17(25)16-14(7-13-29-16)20-18(23)28/h7,13H,2-6,8-12H2,1H3,(H,20,28) |
| InChIKey | LDBVGHOXBANFDD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:109305) is a organic heterobicyclic compound (CHEBI:27171) |
| 4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:109305) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| 4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:109305) is a organosulfur heterocyclic compound (CHEBI:38106) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20703 | LINCS |