Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H21Cl2N7O3/c1-11(32-2)18-14(10-23-16-8-15(22)27-29(16)18)26-20(31)25-12-7-13(21)17(24-9-12)19(30)28-5-3-4-6-28/h7-11H,3-6H2,1-2H3,(H2,25,26,31)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | OJTGJRAKRGEDPI-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](C)c1n2nc(Cl)cc2ncc1NC(=O)Nc3cnc(c(Cl)c3)C(=O)N4CCCC4 |
SMILES | CACTVS | 3.385 | CO[CH](C)c1n2nc(Cl)cc2ncc1NC(=O)Nc3cnc(c(Cl)c3)C(=O)N4CCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC |