Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H16ClN7O2/c1-24-15-12(16(27)20-17-21-22-23-25(17)2)7-5-9-14(15)26(18(24)28)10-11-6-3-4-8-13(11)19/h3-9H,10H2,1-2H3,(H,20,21,23,27) |
InChIKey | InChI | 1.06 | OPUWTTQBFQVNFW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nnnc1NC(=O)c2cccc3N(Cc4ccccc4Cl)C(=O)N(C)c23 |
SMILES | CACTVS | 3.385 | Cn1nnnc1NC(=O)c2cccc3N(Cc4ccccc4Cl)C(=O)N(C)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(nnn1)NC(=O)c2cccc3c2N(C(=O)N3Cc4ccccc4Cl)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(nnn1)NC(=O)c2cccc3c2N(C(=O)N3Cc4ccccc4Cl)C |