Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(C(O)C2(F)F)CO |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F |
SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)C2(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F |
InChI | InChI | 1.03 | InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | SDUQYLNIPVEERB-QPPQHZFASA-N |