Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3[C@H](O)CNC=Nc23 |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](C[CH]1O)n2cnc3[CH](O)CNC=Nc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3CC(C(O3)CO)O)N=CNCC2O |
InChI | InChI | 1.03 | InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1 |
InChIKey | InChI | 1.03 | FPVKHBSQESCIEP-JQCXWYLXSA-N |