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copper 3H-purin-7-id-6-one sulfate dihydrate

copper 3H-purin-7-id-6-one sulfate dihydrate

Systemtic Name:copper 3H-purin-7-id-6-one sulfate dihydrate
Openeye Name:copper 3H-purin-7-id-6-one sulfate dihydrate
CAS Name:copper 3H-purin-7-id-6-one sulfate dihydrate
IUPAC Name:copper 3H-purin-7-id-6-one sulfate dihydrate
Traditional Name:cupric 3H-purin-7-id-6-one sulfate dihydrate
Formula: C5H7CuN4O7S-
MolecularWeight: 330.74268
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N=C[N-]2.O.O.[O-]S(=O)(=O)[O-].[Cu+2]


Isomeric SMILES

C1=NC(=O)C2=C(N1)N=C[N-]2.O.O.[O-]S(=O)(=O)[O-].[Cu+2]


InChI

InChI=1S/C5H4N4O.Cu.H2O4S.2H2O/c10-5-3-4(7-1-6-3)8-2-9-5;;1-5(2,3)4;;/h1-2H,(H2,6,7,8,9,10);;(H2,1,2,3,4);2*1H2/q;+2;;;/p-3


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