OJI
Summary
| Name: | (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Formula: | C10 H13 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 267.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R})-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1 |
| InChIKey | InChI | 1.06 | JVOJULURLCZUDE-JXOAFFINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O |
