Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C28H25N7O2/c1-2-37-21-10-11-24(31-17-21)27-34-33-26(35(27)20-7-4-3-5-8-20)18-15-19(16-18)32-28(36)22-12-14-29-23-9-6-13-30-25(22)23/h3-14,17-19H,2,15-16H2,1H3,(H,32,36)/t18-,19- |
InChIKey | InChI | 1.03 | COXSHSHYVZXRAN-WGSAOQKQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(nc1)c2nnc([C@@H]3C[C@H](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6 |
SMILES | CACTVS | 3.385 | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6 |