KI5
Summary
| Name: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL |
| Formula: | C8 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 184.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethanol |
| OpenEye OEToolkits | 1.7.6 | 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S(c1nc(cc(n1)C)C)CCO |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2OS/c1-6-5-7(2)10-8(9-6)12-4-3-11/h5,11H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | DSRGZRHOYJEVPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(SCCO)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)nc(SCCO)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(n1)SCCO)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(n1)SCCO)C |
