LDB
Summary
| Name: | 4-Thiouracil |
| Synonyms: | 4-sulfanylidene-1~{H}-pyrimidin-2-one |
| Formula: | C4 H4 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 128.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-sulfanylidene-1~{H}-pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8) |
| InChIKey | InChI | 1.03 | OVONXEQGWXGFJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=CC(=S)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC=CC(=S)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CNC(=O)NC1=S |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CNC(=O)NC1=S |
