種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCn3cccc3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C27H32N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h5-15,18-19,32H,16-17H2,1-4H3,(H2,28,29,30,31) |
InChIKey | InChI | 1.03 | PDGYCXUDHRCGRT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnc(Nc2ccc(OCCn3cccc3)cc2)nc1Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C |
SMILES | CACTVS | 3.385 | Cc1cnc(Nc2ccc(OCCn3cccc3)cc2)nc1Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4 |