WBU
Summary
| Name: | 5-AMINO-1H-PYRIMIDINE-2,4-DIONE |
| Formula: | C4 H5 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 127.101 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-aminopyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 5-amino-1H-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(N)=CNC(=O)N1 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=CNC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | NC1=CNC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1)N |
| InChI | InChI | 1.03 | InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9) |
| InChIKey | InChI | 1.03 | BISHACNKZIBDFM-UHFFFAOYSA-N |
