種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C18H20N4S.C2H8N2.Pt/c1-19-18(23)22(2)12-11-20-17-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)17;3-1-2-4;/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,21);1-4H2;/q;;+2/p+1 |
InChIKey | InChI | 1.03 | OKAPUBIJKIBDMC-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | [Pt++]|1(|NCCN|1)|S=C(NC)N(C)CCNc2c3ccccc3[nH+]c4ccccc24 |
SMILES | CACTVS | 3.385 | [Pt++]|1(|NCCN|1)|S=C(NC)N(C)CCNc2c3ccccc3[nH+]c4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4 |