種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CN(C)CCCCCCNc1nc(nc2cc(OC)c(cc21)OC)NCCCCCN(C)C |
InChI | InChI | 1.06 | InChI=1S/C25H44N6O2/c1-30(2)16-12-8-7-10-14-26-24-20-18-22(32-5)23(33-6)19-21(20)28-25(29-24)27-15-11-9-13-17-31(3)4/h18-19H,7-17H2,1-6H3,(H2,26,27,28,29) |
InChIKey | InChI | 1.06 | LJBDNFUYQUHYOX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nc(NCCCCCN(C)C)nc(NCCCCCCN(C)C)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2nc(NCCCCCN(C)C)nc(NCCCCCCN(C)C)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCCCCCNc1c2cc(c(cc2nc(n1)NCCCCCN(C)C)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCCCCCNc1c2cc(c(cc2nc(n1)NCCCCCN(C)C)OC)OC |