EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H21FN4O |
| Net Charge | 0 |
| Average Mass | 328.391 |
| Monoisotopic Mass | 328.16994 |
| SMILES | Cc1cc(F)cc(C)c1Cn1cnc2c(cnn2C(C)(C)C)c1=O |
| InChI | InChI=1S/C18H21FN4O/c1-11-6-13(19)7-12(2)15(11)9-22-10-20-16-14(17(22)24)8-21-23(16)18(3,4)5/h6-8,10H,9H2,1-5H3 |
| InChIKey | XIVMYUBMIRSGDM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-tert-butyl-5-[(4-fluoro-2,6-dimethylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone (CHEBI:92082) is a pyrazolopyrimidine (CHEBI:38669) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2079 | LINCS |