N8M
Summary
| Name: | 5'-deoxy-5'-(dimethylamino)-8-methyladenosine |
| Formula: | C13 H20 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 308.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5'-deoxy-5'-(dimethylamino)-8-methyladenosine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2-(6-amino-8-methyl-purin-9-yl)-5-(dimethylaminomethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(C)nc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | CN(C)C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN(C)C)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)C)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H20N6O3/c1-6-17-8-11(14)15-5-16-12(8)19(6)13-10(21)9(20)7(22-13)4-18(2)3/h5,7,9-10,13,20-21H,4H2,1-3H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | BDRUNDKEQQVJJG-QYVSTXNMSA-N |
