A1JPC
Summary
| Name: | (2~{R},3~{S},4~{R},5~{R})-2-[[4-(aminomethyl)-1,2,3-triazol-1-yl]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol |
| Formula: | C13 H17 N9 O3 |
| Formal charge: | 0 |
| Formula weight: | 347.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{R},5~{R})-2-[[4-(aminomethyl)-1,2,3-triazol-1-yl]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17N9O3/c14-1-6-2-21(20-19-6)3-7-9(23)10(24)13(25-7)22-5-18-8-11(15)16-4-17-12(8)22/h2,4-5,7,9-10,13,23-24H,1,3,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | NFSJJKJBIKSLTB-QYVSTXNMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cn(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)nn1 |
| SMILES | CACTVS | 3.385 | NCc1cn(C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nnn1C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nnn1CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)CN |
