URB
Summary
Name: | 5-bromopyrimidine-2,4(1H,3H)-dione |
Synonyms: | 5-bromouracil |
Formula: | C4 H3 Br N2 O2 |
Formal charge: | 0 |
Formula weight: | 190.983 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 5-bromopyrimidine-2,4(1H,3H)-dione |
OpenEye OEToolkits | 1.5.0 | 5-bromo-1H-pyrimidine-2,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | BrC1=CNC(=O)NC1=O |
SMILES_CANONICAL | CACTVS | 3.341 | BrC1=CNC(=O)NC1=O |
SMILES | CACTVS | 3.341 | BrC1=CNC(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1)Br |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1)Br |
InChI | InChI | 1.03 | InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) |
InChIKey | InChI | 1.03 | LQLQRFGHAALLLE-UHFFFAOYSA-N |