A1IWO
Summary
| Name: | 1-[5-chloranyl-4-[(3~{R})-pyrrolidin-3-yl]oxy-pyrimidin-2-yl]benzimidazole |
| Formula: | C15 H14 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 315.758 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[5-chloranyl-4-[(3~{R})-pyrrolidin-3-yl]oxy-pyrimidin-2-yl]benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H14ClN5O/c16-11-8-18-15(20-14(11)22-10-5-6-17-7-10)21-9-19-12-3-1-2-4-13(12)21/h1-4,8-10,17H,5-7H2 |
| InChIKey | InChI | 1.06 | RTLRGXRMFWELCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc(nc1O[C@@H]2CCNC2)n3cnc4ccccc34 |
| SMILES | CACTVS | 3.385 | Clc1cnc(nc1O[CH]2CCNC2)n3cnc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ncn2c3ncc(c(n3)O[C@@H]4CCNC4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ncn2c3ncc(c(n3)OC4CCNC4)Cl |
