JFD
Summary
| Name: | 6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| Synonyms: | 6-amino-5-bromopyrimidine-2,4(1H,3H)-dione |
| Formula: | C4 H4 Br N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.997 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-amino-5-bromopyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 6-amino-5-bromo-1H-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | BrC=1C(=O)NC(=O)NC=1N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=C(Br)C(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=C(Br)C(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1(=C(NC(=O)NC1=O)N)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(=C(NC(=O)NC1=O)N)Br |
| InChI | InChI | 1.03 | InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10) |
| InChIKey | InChI | 1.03 | FSLBEEVCUZFKRL-UHFFFAOYSA-N |
