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 |