BJE
Summary
| Name: | 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil |
| Synonyms: | Anhydrouridine 2,2'-ANHYDROURIDINE; CYCLOURIDINE |
| Formula: | C9 H10 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 226.186 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},4~{R},5~{R},6~{R})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | UUGITDASWNOAGG-XVFCMESISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H]2[C@H](OC3=NC(=O)C=CN23)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O |
