Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=[W](O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[W](O)(O)=O)[C@@H](O)[C@H]3O |
SMILES | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[W](O)(O)=O)[CH](O)[CH]3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W](=O)(O)O)O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[W](=O)(O)O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);2*1H2;;/q-1;;;;+3/p-2/t4-,6-,7-,10-;;;;/m1..../s1 |
InChIKey | InChI | 1.03 | FJSJQPRHXPUMLC-KWIZKVQNSA-L |