cadmium(2+); 3,7-dihydropurin-1-ium-6-thione

Systemtic Name: cadmium(2+); 3,7-dihydropurin-1-ium-6-thione Openeye Name: cadmium(2+); 3,7-dihydropurin-1-ium-6-thione CAS Name: cadmium(2+); 3,7-dihydropurin-1-ium-6-thione IUPAC Name: cadmium(2+); 3,7-dihydropurin-1-ium-6-thione Traditional Name: cadmium(2+); 3,7-dihydropurin-1-ium-6-thione Formula: C20H20CdN16S4+6 MolecularWeight: 725.151

Click to see the large picture

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.[Cd+2]

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.[Cd+2]

InChI

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