Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1ccc(n1)c1cc(CNc2nc3NC(=CC(=O)n3n2)Cc2ccccc2)c(Cl)cc1 |
InChI | InChI | 1.06 | InChI=1S/C23H20ClN7O/c1-30-10-9-20(28-30)16-7-8-19(24)17(12-16)14-25-22-27-23-26-18(13-21(32)31(23)29-22)11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3,(H2,25,26,27,29) |
InChIKey | InChI | 1.06 | SOXDVBYVZVNDNX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(n1)c2ccc(Cl)c(CNc3nn4C(=O)C=C(Cc5ccccc5)Nc4n3)c2 |
SMILES | CACTVS | 3.385 | Cn1ccc(n1)c2ccc(Cl)c(CNc3nn4C(=O)C=C(Cc5ccccc5)Nc4n3)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)c2ccc(c(c2)CNc3nc4n(n3)C(=O)C=C(N4)Cc5ccccc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)c2ccc(c(c2)CNc3nc4n(n3)C(=O)C=C(N4)Cc5ccccc5)Cl |