EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H31N3OS |
| Net Charge | 0 |
| Average Mass | 385.577 |
| Monoisotopic Mass | 385.21878 |
| SMILES | CCN(CC)CCn1c(-c2ccc(C)cc2)nc(=S)c2c1CC(C)(C)OC2 |
| InChI | InChI=1S/C22H31N3OS/c1-6-24(7-2)12-13-25-19-14-22(4,5)26-15-18(19)21(27)23-20(25)17-10-8-16(3)9-11-17/h8-11H,6-7,12-15H2,1-5H3 |
| InChIKey | BOEFQIDOUBHAGI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione (CHEBI:114605) is a organic heterobicyclic compound (CHEBI:27171) |
| 1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione (CHEBI:114605) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| 1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione (CHEBI:114605) is a oxacycle (CHEBI:38104) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26067 | LINCS |