Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FCC3OC(n2cnc1c(ncnc12)N)CC3O |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CF)O3 |
SMILES | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CF)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3CC(C(O3)CF)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H12FN5O2/c11-2-6-5(17)1-7(18-6)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m0/s1 |
InChIKey | InChI | 1.03 | QKUCDAPGYBWICH-RRKCRQDMSA-N |