0G0
Summary
| Name: | 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine |
| Formula: | C12 H14 F N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 343.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine |
| OpenEye OEToolkits | 1.7.6 | 5-fluoranyl-1-[[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,3-triazol-4-yl]methyl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC1=CN(C(=O)NC1=O)Cc2nnn(c2)C3OC(C(O)C3O)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H14FN5O6/c13-6-3-17(12(23)14-10(6)22)1-5-2-18(16-15-5)11-9(21)8(20)7(4-19)24-11/h2-3,7-9,11,19-21H,1,4H2,(H,14,22,23)/t7-,8-,9+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | MGDQWTKSRPEJPQ-WYOJIJJFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)n2cc(CN3C=C(F)C(=O)NC3=O)nn2 |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cc(CN3C=C(F)C(=O)NC3=O)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nnn1C2C(C(C(O2)CO)O)O)CN3C=C(C(=O)NC3=O)F |
