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

Systemtic Name: 3,7-dihydropurin-1-ium-6-thione; iron(2+) Openeye Name: ferrous 3,7-dihydropurin-1-ium-6-thione CAS Name: 3,7-dihydropurin-1-ium-6-thione; iron(2+) IUPAC Name: 3,7-dihydropurin-1-ium-6-thione; iron(2+) Traditional Name: ferrous 3,7-dihydropurin-1-ium-6-thione Formula: C20H20FeN16S4+6 MolecularWeight: 668.585

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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.[Fe+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.[Fe+2]

InChI

InChI=1S/4C5H4N4S.Fe/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