56L
Summary
| Name: | 5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
| Formula: | C7 H10 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 186.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
| OpenEye OEToolkits | 1.9.2 | 5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C1C(NC(NC1=O)=S)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3-4H,1-2H3,(H2,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | QWVRNSPNBZGMRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1C(=O)NC(=S)NC1=O |
| SMILES | CACTVS | 3.385 | CC(C)C1C(=O)NC(=S)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)C1C(=O)NC(=S)NC1=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)C1C(=O)NC(=S)NC1=O |
