EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H32N6O2S |
| Net Charge | 0 |
| Average Mass | 504.660 |
| Monoisotopic Mass | 504.23075 |
| SMILES | Cc1cccc(N2C(=O)CC(N(Cc3c(C)nn(C)c3C)C(=S)Nc3ccc(N(C)C)cc3)C2=O)c1 |
| InChI | InChI=1S/C27H32N6O2S/c1-17-8-7-9-22(14-17)33-25(34)15-24(26(33)35)32(16-23-18(2)29-31(6)19(23)3)27(36)28-20-10-12-21(13-11-20)30(4)5/h7-14,24H,15-16H2,1-6H3,(H,28,36) |
| InChIKey | AGNCTQYSKRYEFE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[4-(dimethylamino)phenyl]-1-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea (CHEBI:108090) is a pyrrolidines (CHEBI:38260) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19467 | LINCS |