| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC(=O)c2c1c1c3c4n(cccc42)[Ru]2456(C#[O+])([CH]7=[CH]2[CH]4=[CH]5C76)n3c2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C17H9N3O2.C5H5.CO.Ru/c21-16-12-9-5-3-7-18-14(9)15-11(13(12)17(22)20-16)8-4-1-2-6-10(8)19-15;1-2-4-5-3-1;1-2;/h1-7H,(H2,18,19,20,21,22);1-5H;;/q;;2*+1/p-1 |
| InChIKey | InChI | 1.06 | ZQFJRDLPDIMDSK-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)c2c1c3cccnc3c4n([Ru](C#[O+])C5C=CC=C5)c6ccccc6c24 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)c2c1c3cccnc3c4n([Ru](C#[O+])C5C=CC=C5)c6ccccc6c24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#[O+])C(=O)NC4=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#[O+])C(=O)NC4=O |
