EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H17N9S |
| Net Charge | 0 |
| Average Mass | 379.453 |
| Monoisotopic Mass | 379.13276 |
| SMILES | CN(C)c1nc(N)nc(CSc2nnnn2-c2cccc3ccccc23)n1 |
| InChI | InChI=1S/C17H17N9S/c1-25(2)16-20-14(19-15(18)21-16)10-27-17-22-23-24-26(17)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H2,18,19,20,21) |
| InChIKey | KEGAOGGMAQQKFO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N2,N2-dimethyl-6-[[[1-(1-naphthalenyl)-5-tetrazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine (CHEBI:92899) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3142 | LINCS |