Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C28H24ClN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18- |
InChIKey | InChI | 1.03 | YGQJTDMFOBJBPB-IYARVYRRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(nc1)c2nnc([C@@H]3C[C@H](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6Cl |
SMILES | CACTVS | 3.385 | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6 |