Y3G
Summary
| Name: | 5-ethynylpyrimidine-2,4(1H,3H)-dione |
| Formula: | C6 H4 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 136.108 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-ethynylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 2.0.7 | 5-ethynyl-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C#CC=1C(NC(NC=1)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10) |
| InChIKey | InChI | 1.03 | JOZGNYDSEBIJDH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=C(C#C)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC=C(C#C)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CC1=CNC(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CC1=CNC(=O)NC1=O |
