bis(oxidanyl)-oxidanylidene-azanium; cadmium; 7H-purin-1-ium-6-amine; dihydrate

Systemtic Name: bis(oxidanyl)-oxidanylidene-azanium; cadmium; 7H-purin-1-ium-6-amine; dihydrate Openeye Name: cadmium; dihydroxy(oxo)ammonium; 7H-purin-1-ium-6-amine; dihydrate CAS Name: cadmium; dihydroxy(oxo)ammonium; 7H-purin-1-ium-6-amine; dihydrate IUPAC Name: cadmium; dihydroxy(oxo)azanium; 7H-purin-1-ium-6-amine; dihydrate Traditional Name: cadmium; dihydroxy(keto)ammonium; 7H-purin-1-ium-6-ylamine; dihydrate Formula: C10H24Cd2N14O14+6 MolecularWeight: 789.20496

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=[NH+]C=N2)N.C1=NC2=C(N1)C(=[NH+]C=N2)N.[N+](=O)(O)O.[N+](=O)(O)O.[N+](=O)(O)O.[N+](=O)(O)O.O.O.[Cd].[Cd]

Isomeric SMILES

C1=NC2=C(N1)C(=[NH+]C=N2)N.C1=NC2=C(N1)C(=[NH+]C=N2)N.[N+](=O)(O)O.[N+](=O)(O)O.[N+](=O)(O)O.[N+](=O)(O)O.O.O.[Cd].[Cd]

InChI

InChI=1S/2C5H5N5.2Cd.4H2NO3.2H2O/c2*6-4-3-5(9-1-7-3)10-2-8-4;;;4*2-1(3)4;;/h2*1-2H,(H3,6,7,8,9,10);;;4*(H2,2,3,4);2*1H2/q;;;;4*+1;;/p+2