AD3
Summary
| Name: | 3-DEAZA-ADENOSINE |
| Formula: | C11 H14 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 266.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-beta-D-ribofuranosyl-1H-imidazo[4,5-c]pyridin-4-amine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c3c(n(c1)C2OC(C(O)C2O)CO)ccnc3N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nccc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.341 | Nc1nccc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc(c2c1n(cn2)C3C(C(C(O3)CO)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | DBZQFUNLCALWDY-PNHWDRBUSA-N |
