Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3nc(nc1c3ncn1C2OC(C(O)C2O)CO)N |
InChI | InChI | 1.03 | InChI=1S/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)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 | TXWHPSZYRUHEGT-UUOKFMHZSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |
SMILES | CACTVS | 3.370 | Nc1nc(Cl)c2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1C3C(C(C(O3)CO)O)O)nc(nc2Cl)N |