EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H21N5O3S |
| Net Charge | 0 |
| Average Mass | 435.509 |
| Monoisotopic Mass | 435.13651 |
| SMILES | CN1CCN(c2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)CC1 |
| InChI | InChI=1S/C22H21N5O3S/c1-25-11-13-26(14-12-25)21-19(22(28)27-10-6-5-9-20(27)24-21)15-18(16-23)31(29,30)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3 |
| InChIKey | CFFGQTVSSJLVLZ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(benzenesulfonyl)-3-[2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile (CHEBI:119926) is a N-arylpiperazine (CHEBI:46848) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31369 | LINCS |