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CHEBI:45898 - 2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide
| Formula | C19H22F3N5O5S |
| Net Charge | 0 |
| Average Mass | 489.476 |
| Monoisotopic Mass | 489.12937 |
| SMILES | [H]c1nc(-c2c([H])c([H])c(N([H])[H])c([H])c2[H])n(C([H])([H])C(=O)N([H])[C@]([H])(C(=O)C(F)(F)F)C([H])(C([H])([H])[H])C([H])([H])[H])c(=O)c1N([H])S(=O)(=O)C([H])([H])[H] |
| InChI | InChI=1S/C19H22F3N5O5S/c1-10(2)15(16(29)19(20,21)22)25-14(28)9-27-17(11-4-6-12(23)7-5-11)24-8-13(18(27)30)26-33(3,31)32/h4-8,10,15,26H,9,23H2,1-3H3,(H,25,28)/t15-/m0/s1 |
| InChIKey | JWSWTHSJMGVOKE-HNNXBMFYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide (CHEBI:45898) has functional parent acetamide (CHEBI:27856) |
| 2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide (CHEBI:45898) is a organofluorine compound (CHEBI:37143) |
| 2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide (CHEBI:45898) is a pyrimidone (CHEBI:38337) |
| 2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide (CHEBI:45898) is a sulfonamide (CHEBI:35358) |
| Synonyms | Source |
|---|---|
| 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE | PDBeChem |
| 2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| TFI | PDBeChem |