A1IIW
Summary
| Name: | (2~{R},3~{S},4~{R},5~{S},6~{S})-6-(2-chloroethyloxy)-2-(hydroxymethyl)-5-[4-[(imidazolidin-2-ylideneamino)methyl]-1,2,3-triazol-1-yl]oxane-3,4-diol |
| Formula: | C14 H23 Cl N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 390.823 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{R},5~{S},6~{S})-6-(2-chloroethyloxy)-2-(hydroxymethyl)-5-[4-[(imidazolidin-2-ylideneamino)methyl]-1,2,3-triazol-1-yl]oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H23ClN6O5/c15-1-4-25-13-10(12(24)11(23)9(7-22)26-13)21-6-8(19-20-21)5-18-14-16-2-3-17-14/h6,9-13,22-24H,1-5,7H2,(H2,16,17,18)/t9-,10+,11-,12-,13+/m1/s1 |
| InChIKey | InChI | 1.06 | SUTPIBBHKSRFDY-MLGHIDQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](OCCCl)[C@H]([C@@H](O)[C@@H]1O)n2cc(CN=C3NCCN3)nn2 |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](OCCCl)[CH]([CH](O)[CH]1O)n2cc(CN=C3NCCN3)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nnn1[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OCCCl)CO)O)O)CN=C3NCCN3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nnn1C2C(C(C(OC2OCCCl)CO)O)O)CN=C3NCCN3 |
