WCH
Summary
| Name: | (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide |
| Formula: | C18 H20 N8 O4 |
| Formal charge: | 0 |
| Formula weight: | 412.403 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{R},5~{R})-5-[6-azanyl-2-[(~{E})-phenyldiazenyl]purin-9-yl]-~{N}-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20N8O4/c1-2-20-16(29)13-11(27)12(28)17(30-13)26-8-21-10-14(19)22-18(23-15(10)26)25-24-9-6-4-3-5-7-9/h3-8,11-13,17,27-28H,2H2,1H3,(H,20,29)(H2,19,22,23)/b25-24+/t11-,12+,13-,17+/m0/s1 |
| InChIKey | InChI | 1.06 | TWQRPAGBMNXURX-APJVYBOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(N=Nc4ccccc4)nc23 |
| SMILES | CACTVS | 3.385 | CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N=Nc4ccccc4)nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)/N=N/c4ccccc4)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3N)N=Nc4ccccc4)O)O |
