N50
Summary
| Name: | 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol |
| Formula: | C11 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 240.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol |
| OpenEye OEToolkits | 1.7.6 | 2-[(2,6-dimethoxy-5-methyl-pyrimidin-4-yl)methylidene]propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1nc(\C=C(/CO)CO)c(c(OC)n1)C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O4/c1-7-9(4-8(5-14)6-15)12-11(17-3)13-10(7)16-2/h4,14-15H,5-6H2,1-3H3 |
| InChIKey | InChI | 1.03 | YLFWDZOXQQHLDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1nc(OC)c(C)c(C=C(CO)CO)n1 |
| SMILES | CACTVS | 3.370 | COc1nc(OC)c(C)c(C=C(CO)CO)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(nc1OC)OC)C=C(CO)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(nc1OC)OC)C=C(CO)CO |
