種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1F)[CH]2O[CH](CO)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F |
InChI | InChI | 1.03 | InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 |
InChIKey | InChI | 1.03 | STRZQWQNZQMHQR-UAKXSSHOSA-N |