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

Systemtic Name: 3,7-dihydropurin-1-ium-6-thione; (5-nitro-2-oxidanyl-phenyl)mercury Openeye Name: 3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-5-nitro-phenyl)mercury CAS Name: 3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-5-nitrophenyl)mercury IUPAC Name: 3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-5-nitrophenyl)mercury Traditional Name: 3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-5-nitro-phenyl)mercury Formula: C11H9HgN5O3S+ MolecularWeight: 491.87586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H4NO3.C5H4N4S.Hg/c8-6-3-1-5(2-4-6)7(9)10;10-5-3-4(7-1-6-3)8-2-9-5;/h1-3,8H;1-2H,(H2,6,7,8,9,10);/p+1