Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/2C12H8N2.Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-8H; |
InChIKey | InChI | 1.03 | PMTHRTGZYZUPOQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [Pt].c1cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccnc56 |
SMILES | CACTVS | 3.385 | [Pt].c1cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccnc56 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8 |