Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-16(18)24-20-22-12-21-19(25-20)23-15-10-9-14(28-3)11-17(15)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25) |
InChIKey | InChI | 1.06 | SJDNTFXRKKDOLU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c(OC)c1 |
SMILES | CACTVS | 3.385 | COc1ccc(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c(OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)OC |