W8W
Summary
| Name: | 5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione |
| Formula: | C5 H5 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.009 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-1-methyl-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C)C=C1Br |
| InChI | InChI | 1.06 | InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10) |
| InChIKey | InChI | 1.06 | PIVKLKRNXWUHSD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(Br)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CN1C=C(Br)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(C(=O)NC1=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(C(=O)NC1=O)Br |
