7XQ
Summary
| Name: | (1R,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol |
| Formula: | C12 H16 F N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 297.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S},3~{S},4~{R},5~{R})-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16FN5O3/c13-6-5(1-2-19)9(20)10(21)8(6)18-4-17-7-11(14)15-3-16-12(7)18/h3-6,8-10,19-21H,1-2H2,(H2,14,15,16)/t5-,6+,8+,9+,10-/m0/s1 |
| InChIKey | InChI | 1.03 | BHBYBYPYUGVDDF-LUTUWXHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(cnc12)[C@H]3[C@H](O)[C@H](O)[C@@H](CCO)[C@H]3F |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(cnc12)[CH]3[CH](O)[CH](O)[CH](CCO)[CH]3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H]([C@H]3F)CCO)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)C3C(C(C(C3F)CCO)O)O)N |
