EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H12ClF4N9O |
| Net Charge | 0 |
| Average Mass | 481.801 |
| Monoisotopic Mass | 481.07895 |
| SMILES | C[C@@]1(C(F)(F)F)CN(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2cnc3cc(F)nn3c21 |
| InChI | InChI=1S/C18H12ClF4N9O/c1-17(18(21,22)23)8-30(11-7-24-13-5-12(20)29-31(13)14(11)17)16(33)28-9-4-10(19)15(25-6-9)32-26-2-3-27-32/h2-7H,8H2,1H3,(H,28,33)/t17-/m1/s1 |
| InChIKey | DEMHKALZEXJNJH-QGZVFWFLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sgr-1505 (CHEBI:760432) is a pyrazolopyrimidine (CHEBI:38669) |
| Synonym | Source |
|---|---|
| Sgr-1505 | ChEMBL |