EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H22N4S |
| Net Charge | 0 |
| Average Mass | 302.447 |
| Monoisotopic Mass | 302.15652 |
| SMILES | CN1CCN(C=Nc2sc3c(c2C#N)CCCCC3)CC1 |
| InChI | InChI=1S/C16H22N4S/c1-19-7-9-20(10-8-19)12-18-16-14(11-17)13-5-3-2-4-6-15(13)21-16/h12H,2-10H2,1H3 |
| InChIKey | FCMGAQVDVZZVMS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4-methyl-1-piperazinyl)methylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile (CHEBI:115688) is a organosulfur heterocyclic compound (CHEBI:38106) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27145 | LINCS |