Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N(c1cnc(nc1N(c3c2cccc3)C(C)C)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C |
InChI | InChI | 1.03 | InChI=1S/C27H33N7O2/c1-18(2)34-21-9-7-6-8-20(21)26(35)32(4)23-17-28-27(30-25(23)34)29-19-10-11-22(24(16-19)36-5)33-14-12-31(3)13-15-33/h6-11,16-18H,12-15H2,1-5H3,(H,28,29,30) |
InChIKey | InChI | 1.03 | OIBWIGLECGTHPO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C(C)C)c3n2)ccc1N5CCN(C)CC5 |
SMILES | CACTVS | 3.385 | COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C(C)C)c3n2)ccc1N5CCN(C)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C |