A1ACJ
Summary
| Name: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
| Formula: | C17 H15 Br N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 451.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 2-[3-bromanyl-2-(2-hydroxyethyloxy)phenyl]-1-methyl-~{N}-(1,2-oxazol-4-yl)-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1conc1)C=1N=C(c2cccc(Br)c2OCCO)N(C)C(=O)C=1O |
| InChI | InChI | 1.06 | InChI=1S/C17H15BrN4O6/c1-22-15(10-3-2-4-11(18)14(10)27-6-5-23)21-12(13(24)17(22)26)16(25)20-9-7-19-28-8-9/h2-4,7-8,23-24H,5-6H2,1H3,(H,20,25) |
| InChIKey | InChI | 1.06 | HNZOETDJOULZPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C(=C(N=C1c2cccc(Br)c2OCCO)C(=O)Nc3conc3)O |
| SMILES | CACTVS | 3.385 | CN1C(=O)C(=C(N=C1c2cccc(Br)c2OCCO)C(=O)Nc3conc3)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=NC(=C(C1=O)O)C(=O)Nc2cnoc2)c3cccc(c3OCCO)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=NC(=C(C1=O)O)C(=O)Nc2cnoc2)c3cccc(c3OCCO)Br |
