Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(Cl)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3 |
SMILES | CACTVS | 3.341 | Nc1nc(Cl)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(nc(nc2n1C3CC(C(O3)CO)O)Cl)N |
InChI | InChI | 1.03 | InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1 |
InChIKey | InChI | 1.03 | PTOAARAWEBMLNO-KVQBGUIXSA-N |