EKH
Summary
| Name: | 5-chlorotubercidin |
| Formula: | C11 H13 Cl N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 300.698 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanyl-5-chloranyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13ClN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | WUHZZVWKGCJQHU-IOSLPCCCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(cc(Cl)c12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(cc(Cl)c12)[CH]3O[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)Cl |
