3,7-dihydropurin-1-ium-6-thione; (3,5-dinitro-2-oxidanyl-phenyl)mercury

Systemtic Name: 3,7-dihydropurin-1-ium-6-thione; (3,5-dinitro-2-oxidanyl-phenyl)mercury Openeye Name: 3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-3,5-dinitro-phenyl)mercury CAS Name: 3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-3,5-dinitrophenyl)mercury IUPAC Name: 3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-3,5-dinitrophenyl)mercury Traditional Name: 3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-3,5-dinitro-phenyl)mercury Formula: C11H8HgN6O5S+ MolecularWeight: 536.87342

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)[Hg])[N+](=O)[O-].C1=[NH+]C(=S)C2=C(N1)N=CN2

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[Hg])[N+](=O)[O-].C1=[NH+]C(=S)C2=C(N1)N=CN2

InChI

InChI=1S/C6H3N2O5.C5H4N4S.Hg/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;10-5-3-4(7-1-6-3)8-2-9-5;/h1,3,9H;1-2H,(H2,6,7,8,9,10);/p+1