| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic1ccc(c(F)c1)NC2=C(F)C(=O)N(C=3N=CN(C(=O)C2=3)CC(O)CO)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)C(=C(Nc2ccc(I)cc2F)C3=C1N=CN(C[C@@H](O)CO)C3=O)F |
| SMILES | CACTVS | 3.370 | CN1C(=O)C(=C(Nc2ccc(I)cc2F)C3=C1N=CN(C[CH](O)CO)C3=O)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)C[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)CC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | RCLQNICOARASSR-SECBINFHSA-N |
