TUL
Summary
| Name: | 2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
| Formula: | C4 H4 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 128.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 2-sulfanylidene-1H-pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=CNC(=S)N1 |
| InChI | InChI | 1.03 | InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) |
| InChIKey | InChI | 1.03 | ZEMGGZBWXRYJHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=S)NC=C1 |
| SMILES | CACTVS | 3.385 | O=C1NC(=S)NC=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1=CNC(=S)NC1=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1=CNC(=S)NC1=O |
