EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H30N6O3S |
| Net Charge | 0 |
| Average Mass | 470.599 |
| Monoisotopic Mass | 470.21001 |
| SMILES | CCCn1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C |
| InChI | InChI=1S/C23H30N6O3S/c1-4-12-29-19-20(26(2)23(32)27(3)21(19)31)25-22(29)33-15-18(30)24-16-10-6-7-11-17(16)28-13-8-5-9-14-28/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,24,30) |
| InChIKey | NNILYJTZTWGWRW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-[2-(1-piperidinyl)phenyl]acetamide (CHEBI:116750) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28202 | LINCS |