1U6
Summary
| Name: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
| Formula: | C8 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 200.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
| OpenEye OEToolkits | 1.7.6 | 1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1N(C(=O)CC(=O)N1CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3 |
| InChIKey | InChI | 1.03 | SHBTUGJAKBRBBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCN1C(=O)CC(=O)N(CC)C1=S |
| SMILES | CACTVS | 3.370 | CCN1C(=O)CC(=O)N(CC)C1=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN1C(=O)CC(=O)N(C1=S)CC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN1C(=O)CC(=O)N(C1=S)CC |
