S9D
Summary
| Name: | 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine |
| Formula: | C13 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 242.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | IZVIOVJMKGPYAR-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@H](NN1)c2ccc(Oc3ncccn3)cc2 |
| SMILES | CACTVS | 3.385 | C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)Oc2ccc(cc2)[C@@H]3CCNN3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)Oc2ccc(cc2)C3CCNN3 |
