572
Summary
| Name: | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE |
| Synonyms: | CP-166572 2-HYDROXYMETHYL-4-(4-N,N-DIMETHYLAMINOSULFONYL-1-PIPERAZINO)-PYRIMIDINE |
| Formula: | C11 H19 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 301.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide |
| OpenEye OEToolkits | 1.5.0 | 4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N2CCN(c1nc(ncc1)CO)CC2)N(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)[S](=O)(=O)N1CCN(CC1)c2ccnc(CO)n2 |
| SMILES | CACTVS | 3.341 | CN(C)[S](=O)(=O)N1CCN(CC1)c2ccnc(CO)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3 |
| InChIKey | InChI | 1.03 | XDTHNROWHAAVPJ-UHFFFAOYSA-N |
