種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C11H6F2N.C9H10N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2-8H,1H3; |
InChIKey | InChI | 1.03 | MSOPGFNQFJYXDN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CN(C=C1)c2ccccn2.Fc3cc(F)c(c([Pt])c3)c4ccccn4 |
SMILES | CACTVS | 3.385 | CN1CN(C=C1)c2ccccn2.Fc3cc(F)c(c([Pt])c3)c4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6 |