EP4
Summary
| Name: | 5'-deoxy-5'-(dimethylamino)adenosine |
| Formula: | C12 H18 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 294.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-deoxy-5'-(dimethylamino)adenosine |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(dimethylamino)methyl]oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C12H18N6O3/c1-17(2)3-6-8(19)9(20)12(21-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | SLNWRDWGFHZRAQ-WOUKDFQISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.370 | CN(C)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O |
