EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:45321 - 2-{(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
| Formula | C27H35N7O3 |
| Net Charge | 0 |
| Average Mass | 505.623 |
| Monoisotopic Mass | 505.28014 |
| SMILES | [H]c1nc([H])n(-c2nc(N3C([H])([H])C([H])([H])N(C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])c4c([H])c([H])c(OC([H])([H])[H])c([H])c4[H])C3([H])[H])c([H])c(C([H])([H])[H])n2)c1[H] |
| InChI | InChI=1S/C27H35N7O3/c1-19(2)26(36)34-14-13-32(24-15-20(3)30-27(31-24)33-12-11-28-18-33)17-22(34)16-25(35)29-10-9-21-5-7-23(37-4)8-6-21/h5-8,11-12,15,18-19,22H,9-10,13-14,16-17H2,1-4H3,(H,29,35)/t22-/m1/s1 |
| InChIKey | TXTGZZWQXUQSGH-JOCHJYFZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-{(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-N-[2-(4-methoxyphenyl)ethyl]acetamide (CHEBI:45321) is a N-acylpiperazine (CHEBI:46844) |
| 2-{(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-N-[2-(4-methoxyphenyl)ethyl]acetamide (CHEBI:45321) is a N-arylimidazole (CHEBI:46901) |
| 2-{(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-N-[2-(4-methoxyphenyl)ethyl]acetamide (CHEBI:45321) is a N-arylpiperazine (CHEBI:46848) |
| 2-{(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-N-[2-(4-methoxyphenyl)ethyl]acetamide (CHEBI:45321) is a aminopyrimidine (CHEBI:38338) |
| Synonyms | Source |
|---|---|
| 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE | PDBeChem |
| 2-[(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-(2-methylpropanoyl)piperazin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| R86 | PDBeChem |