MHZ
Summary
| Name: | 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE |
| Formula: | C14 H24 N8 O3 |
| Formal charge: | 0 |
| Formula weight: | 352.392 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5'-deoxy-5'-[(3-hydrazinopropyl)(methyl)amino]adenosine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(3-hydrazinylpropyl-methyl-amino)methyl]oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCCNN)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCNN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | CN(CCCNN)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@](CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCCNN)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | MYNRDUPGBPOWQT-IDTAVKCVSA-N |
