種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8 |
InChI | InChI | 1.03 | InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11;/h2*1-8H;/q;;+2 |
InChIKey | InChI | 1.03 | RJNZXUGUJQBFMV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [Pt++].c1ccc(nc1)c2nnc3ccccn23.c4ccc(nc4)c5nnc6ccccn56 |
SMILES | CACTVS | 3.385 | [Pt++].c1ccc(nc1)c2nnc3ccccn23.c4ccc(nc4)c5nnc6ccccn56 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7 |
SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7 |