RHW
Summary
| Name: | 4-(1-benzofuran-5-yl)pyridine-2,6-diamine |
| Formula: | C13 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 225.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(1-benzofuran-5-yl)pyridine-2,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16) |
| InChIKey | InChI | 1.03 | GMWUNXLQEKAPBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(cc(N)n1)c2ccc3occc3c2 |
| SMILES | CACTVS | 3.385 | Nc1cc(cc(N)n1)c2ccc3occc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cco2)cc1c3cc(nc(c3)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cco2)cc1c3cc(nc(c3)N)N |
