6-octylsulfanyl-7H-purin-1-ium; tetrakis(chloranyl)platinum

Systemtic Name: 6-octylsulfanyl-7H-purin-1-ium; tetrakis(chloranyl)platinum Openeye Name: 6-octylsulfanyl-7H-purin-1-ium; tetrachloroplatinum CAS Name: 6-(octylthio)-7H-purin-1-ium; tetrachloroplatinum IUPAC Name: 6-octylsulfanyl-7H-purin-1-ium; tetrachloroplatinum Traditional Name: 6-(octylthio)-7H-purin-1-ium; tetrachloroplatinum Formula: C26H42Cl4N8PtS2+2 MolecularWeight: 867.68528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=[NH+]C=NC2=C1NC=N2.CCCCCCCCSC1=[NH+]C=NC2=C1NC=N2.Cl[Pt](Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCSC1=[NH+]C=NC2=C1NC=N2.CCCCCCCCSC1=[NH+]C=NC2=C1NC=N2.Cl[Pt](Cl)(Cl)Cl

InChI

InChI=1S/2C13H20N4S.4ClH.Pt/c2*1-2-3-4-5-6-7-8-18-13-11-12(15-9-14-11)16-10-17-13;;;;;/h2*9-10H,2-8H2,1H3,(H,14,15,16,17);4*1H;/q;;;;;;+4/p-2