A1MHZ
Summary
| Name: | 9-[(2~{S},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3~{H}-purine-2,6-dione |
| Formula: | C10 H12 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 284.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-[(2~{S},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3~{H}-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6+,9-/m0/s1 |
| InChIKey | InChI | 1.06 | UBORTCNDUKBEOP-HJGQOHIQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1O[C@@H]([C@H](O)[C@H]1O)n2cnc3C(=O)NC(=O)Nc23 |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=O)Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O |
