Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(F)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
SMILES | CACTVS | 3.341 | Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(nc(nc2n1C3C(C(C(O3)CO)O)O)F)N |
InChI | InChI | 1.03 | InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 |
InChIKey | InChI | 1.03 | HBUBKKRHXORPQB-UUOKFMHZSA-N |