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

Systemtic Name: 2-azanyl-3,7-dihydropurin-1-ium-6-thione; (3,5-dinitro-2-oxidanyl-phenyl)mercury Openeye Name: 2-amino-3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-3,5-dinitro-phenyl)mercury CAS Name: 2-amino-3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-3,5-dinitrophenyl)mercury IUPAC Name: 2-amino-3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-3,5-dinitrophenyl)mercury Traditional Name: 2-amino-3,7-dihydropurin-1-ium-6-thione; (2-hydroxy-3,5-dinitro-phenyl)mercury Formula: C11H9HgN7O5S+ MolecularWeight: 551.88806

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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=NC2=C(N1)C(=S)[NH+]=C(N2)N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[Hg])[N+](=O)[O-].C1=NC2=C(N1)C(=S)[NH+]=C(N2)N

InChI

InChI=1S/C6H3N2O5.C5H5N5S.Hg/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;6-5-9-3-2(4(11)10-5)7-1-8-3;/h1,3,9H;1H,(H4,6,7,8,9,10,11);/p+1