Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ncc(cc1)Nc2ncc3c(n2)n(nc3)C4CCCCCC4)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[S](=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 |
SMILES | CACTVS | 3.370 | C[S](=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H23N7O2S/c1-28(26,27)24-16-9-8-14(12-19-16)22-18-20-10-13-11-21-25(17(13)23-18)15-6-4-2-3-5-7-15/h8-12,15H,2-7H2,1H3,(H,19,24)(H,20,22,23) |
InChIKey | InChI | 1.03 | PARUULGUCQEWNM-UHFFFAOYSA-N |