EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:91563 - 6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
| Formula | C17H16N4O2S2 |
| Net Charge | 0 |
| Average Mass | 372.475 |
| Monoisotopic Mass | 372.07147 |
| SMILES | Cn1c2cc(S(C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21 |
| InChI | InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3 |
| InChIKey | ZWKJWVSEDISQIS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone (CHEBI:91563) is a organic heterobicyclic compound (CHEBI:27171) |
| 6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone (CHEBI:91563) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| 6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone (CHEBI:91563) is a organosulfur heterocyclic compound (CHEBI:38106) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1361 | LINCS |