Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1ncc(c1)c1cncs1 |
InChI | InChI | 1.03 | InChI=1S/C23H18ClFN8OS/c24-17-4-6-19(32-12-27-29-30-32)22(23(17)25)15-3-5-18(33(34)11-15)20(7-14-1-2-14)31-10-16(8-28-31)21-9-26-13-35-21/h3-6,8-14,20H,1-2,7H2/t20-/m1/s1 |
InChIKey | InChI | 1.03 | UDBRBOWRYPFBIN-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [O-][n+]1cc(ccc1[C@@H](CC2CC2)n3cc(cn3)c4scnc4)c5c(F)c(Cl)ccc5n6cnnn6 |
SMILES | CACTVS | 3.385 | [O-][n+]1cc(ccc1[CH](CC2CC2)n3cc(cn3)c4scnc4)c5c(F)c(Cl)ccc5n6cnnn6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-])[C@@H](CC4CC4)n5cc(cn5)c6cncs6 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-])C(CC4CC4)n5cc(cn5)c6cncs6 |