1,3-dimethyl-7H-purine-2,6-dione; rhodium(2+); tetraethanoate

Systemtic Name: 1,3-dimethyl-7H-purine-2,6-dione; rhodium(2+); tetraethanoate Openeye Name: 1,3-dimethyl-7H-purine-2,6-dione; rhodium(2+); tetraacetate CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; rhodium(2+); tetraacetate IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; rhodium(2+); tetraacetate Traditional Name: rhodium(2+); theophylline; tetraacetate Formula: C22H28N8O12Rh2 MolecularWeight: 802.31512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.[Rh+2].[Rh+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.[Rh+2].[Rh+2]

InChI

InChI=1S/2C7H8N4O2.4C2H4O2.2Rh/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;4*1-2(3)4;;/h2*3H,1-2H3,(H,8,9);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4