Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1ccn(c1)[Os+2]73(n4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67 |
InChI | InChI | 1.03 | InChI=1S/2C10H8N2.C3H3N2.Os/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H;/q;;-1;+3 |
InChIKey | InChI | 1.03 | LHAHECCJWGXHOW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | [Os++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7 |
SMILES | CACTVS | 3.370 | [Os++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37 |