Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H16N6.Pt/c1-3-13-21-17(9-1)25-19-11-5-7-15(23-19)16-8-6-12-20(24-16)26-18-10-2-4-14-22-18;/h1-14H,(H,21,23,25)(H,22,24,26); |
InChIKey | InChI | 1.03 | ZLWQJMSFYZEZJF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [Pt].N(c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3 |
SMILES | CACTVS | 3.385 | [Pt].N(c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2 |
SMILES | OpenEye OEToolkits | 2.0.6 | C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2 |