JZU
Summary
| Name: | 5'-deoxy-5'-(sulfamoylamino)adenosine |
| Formula: | C10 H15 N7 O5 S |
| Formal charge: | 0 |
| Formula weight: | 345.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]purine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN[S](N)(=O)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.352 | Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](N)(=O)=O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)N)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H15N7O5S/c11-8-5-9(14-2-13-8)17(3-15-5)10-7(19)6(18)4(22-10)1-16-23(12,20)21/h2-4,6-7,10,16,18-19H,1H2,(H2,11,13,14)(H2,12,20,21)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | RCHUICYCIUKUIY-KQYNXXCUSA-N |
