A1IUE
Summary
| Name: | (2~{S})-2-[(5-chloranylpyrimidin-2-yl)-methyl-amino]propan-1-ol |
| Formula: | C8 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 201.653 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(5-chloranylpyrimidin-2-yl)-methyl-amino]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H12ClN3O/c1-6(5-13)12(2)8-10-3-7(9)4-11-8/h3-4,6,13H,5H2,1-2H3/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | JDBRUTDKSYJSEU-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CO)N(C)c1ncc(Cl)cn1 |
| SMILES | CACTVS | 3.385 | C[CH](CO)N(C)c1ncc(Cl)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CO)N(C)c1ncc(cn1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CO)N(C)c1ncc(cn1)Cl |
