種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C15H9N9.Au.ClH/c1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12;;/h1-9H;;1H/q;+3;/p-1 |
InChIKey | InChI | 1.06 | OMUSLKQLSBGRIK-UHFFFAOYSA-M |
SMILES_CANONICAL | CACTVS | 3.385 | Cl[Au@-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6 |
SMILES | CACTVS | 3.385 | Cl[Au-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1)c2nc-3[n+]4c(n2)-c5nccc[n+]5[Au-]4([n+]6c3nccc6)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1)c2nc-3[n+]4c(n2)-c5nccc[n+]5[Au-]4([n+]6c3nccc6)Cl |