Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2nn1cccnc1c2C(=O)Nc3cnnc3c4cc(ccc4OC(F)F)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H11ClF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27) |
InChIKey | InChI | 1.03 | KHCFKCPXXJQHMH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)Oc1ccc(Cl)cc1c2[nH]ncc2NC(=O)c3cnn4cccnc34 |
SMILES | CACTVS | 3.385 | FC(F)Oc1ccc(Cl)cc1c2[nH]ncc2NC(=O)c3cnn4cccnc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl |