JV6
Summary
| Name: | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid |
| Formula: | C12 H14 N6 O7 S |
| Formal charge: | 0 |
| Formula weight: | 386.341 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21) |
| InChIKey | InChI | 1.06 | VXMNDQDDWDDKOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n(C)ncc2C(O)=O)n1 |
| SMILES | CACTVS | 3.385 | COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n(C)ncc2C(O)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC |
