Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m1/s1 |
InChIKey | InChI | 1.06 | MMSFMHOFPDOWCH-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2OCC[C@@H](C(=O)Nc3nncn3C4CC4)c2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2OCC[CH](C(=O)Nc3nncn3C4CC4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3nncn3C4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3nncn3C4CC4 |