Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c[nH+]c3[C@H](O)NC=Nc23 |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3[CH](O)NC=Nc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH+]c2c(n1C3C(C(C(O3)CO)O)O)N=CNC2O |
InChI | InChI | 1.03 | InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1 |
InChIKey | InChI | 1.03 | WGRXVKRHIMUTPD-YOHZANMFSA-O |