Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1cc(nn1C)C(C)(C)C)Nc2ccc(Cl)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | Cn1nc(cc1NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C |
SMILES | CACTVS | 3.341 | Cn1nc(cc1NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21) |
InChIKey | InChI | 1.03 | FWIJKWMXNHRSRO-UHFFFAOYSA-N |