EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16N4O2S |
| Net Charge | 0 |
| Average Mass | 328.397 |
| Monoisotopic Mass | 328.09940 |
| SMILES | CN(C(=O)/C=C/C1=NCCCO1)c1ncc(-c2cccnc2)s1 |
| InChI | InChI=1S/C16H16N4O2S/c1-20(15(21)6-5-14-18-8-3-9-22-14)16-19-11-13(23-16)12-4-2-7-17-10-12/h2,4-7,10-11H,3,8-9H2,1H3/b6-5+ |
| InChIKey | IMFPCBIHVDDMJI-AATRIKPKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| IHSF115 (CHEBI:232602) is a organic molecular entity (CHEBI:50860) |