0EY
Summary
| Name: | 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine |
| Formula: | C12 H15 N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 325.277 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}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine |
| OpenEye OEToolkits | 1.7.6 | 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 | O=C1C=CN(C(=O)N1)Cc2nnn(c2)C3OC(C(O)C3O)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H15N5O6/c18-5-7-9(20)10(21)11(23-7)17-4-6(14-15-17)3-16-2-1-8(19)13-12(16)22/h1-2,4,7,9-11,18,20-21H,3,5H2,(H,13,19,22)/t7-,9-,10+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | HUSMKQOXUIOPRU-CPOMMVLXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)n2cc(CN3C=CC(=O)NC3=O)nn2 |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cc(CN3C=CC(=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=CC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nnn1C2C(C(C(O2)CO)O)O)CN3C=CC(=O)NC3=O |
