EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C12H12N4S |
| Net Charge | 0 |
| Average Mass | 244.323 |
| Monoisotopic Mass | 244.07827 |
| SMILES | N#Cc1c2n(c3c(=S)ncnc13)CCCCC2 |
| InChI | InChI=1S/C12H12N4S/c13-6-8-9-4-2-1-3-5-16(9)11-10(8)14-7-15-12(11)17/h7H,1-5H2,(H,14,15,17) |
| InChIKey | UFOBHGWLEPTLSI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile (CHEBI:123206) is a organic heterobicyclic compound (CHEBI:27171) |
| 4-sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile (CHEBI:123206) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34648 | LINCS |