種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(C)(C)c1ccc(cc1)CNc1nc2nc(CN3CCOCC3)cc(N(C)C)n2n1 |
InChI | InChI | 1.03 | InChI=1S/C23H33N7O/c1-23(2,3)18-8-6-17(7-9-18)15-24-21-26-22-25-19(16-29-10-12-31-13-11-29)14-20(28(4)5)30(22)27-21/h6-9,14H,10-13,15-16H2,1-5H3,(H,24,27) |
InChIKey | InChI | 1.03 | RFOXHOSYULBELK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cc(CN2CCOCC2)nc3nc(NCc4ccc(cc4)C(C)(C)C)nn13 |
SMILES | CACTVS | 3.385 | CN(C)c1cc(CN2CCOCC2)nc3nc(NCc4ccc(cc4)C(C)(C)C)nn13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)CNc2nc3nc(cc(n3n2)N(C)C)CN4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)CNc2nc3nc(cc(n3n2)N(C)C)CN4CCOCC4 |