Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(OC(CO)C1O)c3nnc2c(N)[n+](cnc23)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[n+]1cnc2c([nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1N |
SMILES | CACTVS | 3.341 | C[n+]1cnc2c([nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O)c1N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C[n+]1cnc2c(c1N)[nH]nc2C3C(C(C(O3)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C11H15N5O4/c1-16-3-13-5-6(14-15-7(5)11(16)12)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,14,15)/p+1/t4-,8-,9-,10+/m1/s1 |
InChIKey | InChI | 1.03 | UHYKIYIKTWEXSX-LFAOKBQASA-O |