bis(chloranyl)cadmium; 3,7-dihydropurin-1-ium-6-thione

Systemtic Name: bis(chloranyl)cadmium; 3,7-dihydropurin-1-ium-6-thione Openeye Name: dichlorocadmium; 3,7-dihydropurin-1-ium-6-thione CAS Name: dichlorocadmium; 3,7-dihydropurin-1-ium-6-thione IUPAC Name: dichlorocadmium; 3,7-dihydropurin-1-ium-6-thione Traditional Name: dichlorocadmium; 3,7-dihydropurin-1-ium-6-thione Formula: C20H20CdCl2N16S4+4 MolecularWeight: 796.057

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Descriptors Computed from Structure

Canonical SMILES:

C1=[NH+]C(=S)C2=C(N1)N=CN2.C1=[NH+]C(=S)C2=C(N1)N=CN2.C1=[NH+]C(=S)C2=C(N1)N=CN2.C1=[NH+]C(=S)C2=C(N1)N=CN2.Cl[Cd]Cl

Isomeric SMILES

C1=[NH+]C(=S)C2=C(N1)N=CN2.C1=[NH+]C(=S)C2=C(N1)N=CN2.C1=[NH+]C(=S)C2=C(N1)N=CN2.C1=[NH+]C(=S)C2=C(N1)N=CN2.Cl[Cd]Cl

InChI

InChI=1S/4C5H4N4S.Cd.2ClH/c4*10-5-3-4(7-1-6-3)8-2-9-5;;;/h4*1-2H,(H2,6,7,8,9,10);;2*1H/q;;;;+2;;/p+2