EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H20N6O2S |
| Net Charge | 0 |
| Average Mass | 372.454 |
| Monoisotopic Mass | 372.13684 |
| SMILES | CN(CCCNCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1 |
| InChI | InChI=1S/C17H20N6O2S/c1-22(17-20-16(21-26-17)23-8-6-19-11-23)7-2-5-18-10-13-3-4-14-15(9-13)25-12-24-14/h3-4,6,8-9,11,18H,2,5,7,10,12H2,1H3 |
| InChIKey | ZJFFPGMGWOEQLF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| kd7040 (CHEBI:750282) is a benzodioxoles (CHEBI:38298) |
| Synonym | Source |
|---|---|
| Kd7040 | ChEMBL |
| Citations |
|---|