A8M
Summary
| Name: | 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine |
| Formula: | C15 H25 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 351.404 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2-(6-amino-8-methyl-purin-9-yl)-5-[(3-aminopropyl-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(CCCN)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(C)nc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | CN(CCCN)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)CCCN)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CCCN)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H25N7O3/c1-8-20-10-13(17)18-7-19-14(10)22(8)15-12(24)11(23)9(25-15)6-21(2)5-3-4-16/h7,9,11-12,15,23-24H,3-6,16H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | PCQBSZQRAFEGGW-SDBHATRESA-N |
