AEZ
Summary
| Name: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol |
| Formula: | C8 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 200.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O4/c11-1-3-4-5(10-2-9-4)7(13)8(14)6(3)12/h2-3,6-8,11-14H,1H2,(H,9,10)/t3-,6+,7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | MTUBISADCTVQLI-FBXHKNTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc[nH]c12 |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)c2nc[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1[nH]c2c(n1)C(C(C(C2CO)O)O)O |
