EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H18N6O2S |
| Net Charge | 0 |
| Average Mass | 394.460 |
| Monoisotopic Mass | 394.12119 |
| SMILES | Cn1c(=O)c2c(nc(NN=Cc3cccs3)n2Cc2ccccc2)n(C)c1=O |
| InChI | InChI=1S/C19H18N6O2S/c1-23-16-15(17(26)24(2)19(23)27)25(12-13-7-4-3-5-8-13)18(21-16)22-20-11-14-9-6-10-28-14/h3-11H,12H2,1-2H3,(H,21,22) |
| InChIKey | MDLZUHWOYJMSAN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,3-dimethyl-7-(phenylmethyl)-8-[2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione (CHEBI:104936) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16299 | LINCS |