Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(NCCOC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | COCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C(C)C)cc1 |
SMILES | CACTVS | 3.341 | COCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C(C)C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC |
InChI | InChI | 1.03 | InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25) |
InChIKey | InChI | 1.03 | LDXLQEXLXZCYSR-UHFFFAOYSA-N |