EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H16N6O3S |
| Net Charge | 0 |
| Average Mass | 408.443 |
| Monoisotopic Mass | 408.10046 |
| SMILES | Cc1ccc(-n2ncc3c(SCC(=O)NNC(=O)c4ccco4)ncnc32)cc1 |
| InChI | InChI=1S/C19H16N6O3S/c1-12-4-6-13(7-5-12)25-17-14(9-22-25)19(21-11-20-17)29-10-16(26)23-24-18(27)15-3-2-8-28-15/h2-9,11H,10H2,1H3,(H,23,26)(H,24,27) |
| InChIKey | TZBHHSXBNOPBFP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N'-[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]-2-furancarbohydrazide (CHEBI:105251) is a pyrazoles (CHEBI:26410) |
| N'-[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]-2-furancarbohydrazide (CHEBI:105251) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16614 | LINCS |