EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19Cl2N5OS |
| Net Charge | 0 |
| Average Mass | 436.368 |
| Monoisotopic Mass | 435.06874 |
| SMILES | [H]c1nc(N([H])C([H])([H])[H])nc(-c2sc(C(=O)N([H])[C@@]([H])(C([H])([H])c3c([H])c([H])c(Cl)c([H])c3Cl)C([H])([H])N([H])[H])c([H])c2[H])c1[H] |
| InChI | InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 |
| InChIKey | HHOVRZGUSBMKKU-ZDUSSCGKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CHEBI:47169) is a aminopyrimidine (CHEBI:38338) |
| N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CHEBI:47169) is a dichlorobenzene (CHEBI:23697) |
| N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CHEBI:47169) is a thiophenes (CHEBI:26961) |
| Synonyms | Source |
|---|---|
| N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide | PDBeChem |
| N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 796 | PDBeChem |