AIS
Summary
| Name: | 5-AMINOIMIDAZOLE RIBONUCLEOSIDE |
| Formula: | C8 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 215.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-beta-D-ribofuranosyl-1H-imidazol-5-amine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cc(n(c1)C2OC(C(O)C2O)CO)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1cncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.341 | Nc1cncn1[CH]2O[CH](CO)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(n(cn1)C2C(C(C(O2)CO)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | NKYAAYKKNSYIIW-XVFCMESISA-N |
