WGL
Summary
| Name: | 1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione |
| Formula: | C12 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 254.349 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione |
| OpenEye OEToolkits | 2.0.7 | 1-cyclohexyl-2-ethylsulfanyl-pyrimidine-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCSC1=NC(=O)CC(=O)N1C1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3 |
| InChIKey | InChI | 1.06 | NOSDCGFVVOLULR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCSC1=NC(=O)CC(=O)N1C2CCCCC2 |
| SMILES | CACTVS | 3.385 | CCSC1=NC(=O)CC(=O)N1C2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCSC1=NC(=O)CC(=O)N1C2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCSC1=NC(=O)CC(=O)N1C2CCCCC2 |
