EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H16N4O5S2 |
| Net Charge | 0 |
| Average Mass | 312.373 |
| Monoisotopic Mass | 312.05621 |
| SMILES | CN1C(=O)NC2C1N(S(C)(=O)=O)CCN2S(C)(=O)=O |
| InChI | InChI=1S/C8H16N4O5S2/c1-10-7-6(9-8(10)13)11(18(2,14)15)4-5-12(7)19(3,16)17/h6-7H,4-5H2,1-3H3,(H,9,13) |
| InChIKey | VKRZOWHFRCMNEJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one (CHEBI:120704) is a imidazopyrazine (CHEBI:37847) |
| 3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one (CHEBI:120704) is a sulfonamide (CHEBI:35358) |
| 3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one (CHEBI:120704) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32146 | LINCS |