M8M
Summary
| Name: | 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine |
| Formula: | C14 H23 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 353.377 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2-(6-amino-8-methyl-purin-9-yl)-5-[(2-aminooxyethyl-methyl-amino)methyl]oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(CCON)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(C)nc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | CN(CCON)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)C[N@@](C)CCON)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CCON)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H23N7O4/c1-7-19-9-12(15)17-6-18-13(9)21(7)14-11(23)10(22)8(25-14)5-20(2)3-4-24-16/h6,8,10-11,14,22-23H,3-5,16H2,1-2H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | MIGFZONTOHGZMB-IDTAVKCVSA-N |
