DJ2
Summary
| Name: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol |
| Formula: | C10 H14 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 282.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14N6O4/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(20-10)1-19-12/h2-4,6-7,10,17-18H,1,12H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | NHSVFFNZROZDBB-KQYNXXCUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | NOC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CON)O)O)N |
