Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(cc2nc(N1CCOCC1)n(c2cc3NC(=O)c5c4ncccn4nc5)C)N6CCC(CC6)CO |
InChI | InChI | 1.03 | InChI=1S/C25H30N8O3/c1-30-21-13-20(28-24(35)18-15-27-33-6-2-5-26-23(18)33)22(31-7-3-17(16-34)4-8-31)14-19(21)29-25(30)32-9-11-36-12-10-32/h2,5-6,13-15,17,34H,3-4,7-12,16H2,1H3,(H,28,35) |
InChIKey | InChI | 1.03 | LVDMRCKBQDTUEU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1c2cc(NC(=O)c3cnn4cccnc34)c(cc2nc1N5CCOCC5)N6CCC(CO)CC6 |
SMILES | CACTVS | 3.385 | Cn1c2cc(NC(=O)c3cnn4cccnc34)c(cc2nc1N5CCOCC5)N6CCC(CO)CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6 |