A1IH3
Summary
| Name: | 5-iodanyl-2-methylsulfonyl-pyrimidine |
| Formula: | C5 H5 I N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 284.075 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-iodanyl-2-methylsulfonyl-pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H5IN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3 |
| InChIKey | InChI | 1.06 | HFGWJMJTMDNNIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ncc(I)cn1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ncc(I)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ncc(cn1)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ncc(cn1)I |
