tricopper; octaoxidanium; azanide; 9-methyl-2H-purin-1-ide; 9-methyl-3,4,5,6-tetrahydro-2H-purin-1-ide

Systemtic Name: tricopper; octaoxidanium; azanide; 9-methyl-2H-purin-1-ide; 9-methyl-3,4,5,6-tetrahydro-2H-purin-1-ide Openeye Name: tricopper; octaoxonium; azanide; 9-methyl-2H-purin-1-ide; 9-methyl-3,4,5,6-tetrahydro-2H-purin-1-ide CAS Name: tricopper; octaoxonium; azanide; 9-methyl-2H-purin-1-ide; 9-methyl-3,4,5,6-tetrahydro-2H-purin-1-ide IUPAC Name: tricopper; octaoxidanium; azanide; 9-methyl-2H-purin-1-ide; 9-methyl-3,4,5,6-tetrahydro-2H-purin-1-ide Traditional Name: tricupric; octaoxonium; azanide; 9-methyl-2H-purin-1-ide; 9-methyl-3,4,5,6-tetrahydro-2H-purin-1-ide Formula: C12H44Cu3N9O8+11 MolecularWeight: 633.17126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2C1NC[N-]C2.CN1C=NC2=C[N-]CN=C21.[NH2-].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[Cu+2].[Cu+2].[Cu+2]

Isomeric SMILES

CN1C=NC2C1NC[N-]C2.CN1C=NC2=C[N-]CN=C21.[NH2-].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[Cu+2].[Cu+2].[Cu+2]

InChI

InChI=1S/C6H11N4.C6H7N4.3Cu.H2N.8H2O/c2*1-10-4-9-5-2-7-3-8-6(5)10;;;;;;;;;;;;/h4-6,8H,2-3H2,1H3;2,4H,3H2,1H3;;;;9*1H2/q2*-1;3*+2;-1;;;;;;;;/p+8