TV8
Summary
| Name: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol |
| Formula: | C12 H17 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 295.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8+,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | GRYSXUXXBDSYRT-IQEPQDSISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H](O)[C@H]3OC |
| SMILES | CACTVS | 3.385 | CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)OC |
