XI6
Summary
| Name: | DZNep |
| Synonyms: | (1~{S},2~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol 3-Deazaneplanocin |
| Formula: | C12 H14 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 262.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1 |
| InChIKey | InChI | 1.06 | OMKHWTRUYNAGFG-IEBDPFPHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccc2n(cnc12)[C@@H]3C=C(CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | Nc1nccc2n(cnc12)[CH]3C=C(CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(c2c1n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(c2c1n(cn2)C3C=C(C(C3O)O)CO)N |
