EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H24N6O3S2 |
| Net Charge | 0 |
| Average Mass | 448.574 |
| Monoisotopic Mass | 448.13513 |
| SMILES | CCCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C |
| InChI | InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26) |
| InChIKey | YMNZFBJWBJYYHG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CHEBI:92091) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2089 | LINCS |