dioxidanium; bis(chloranyl)copper; 1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: dioxidanium; bis(chloranyl)copper; 1,3-dimethyl-7H-purine-2,6-dione Openeye Name: dioxonium; dichlorocopper; 1,3-dimethyl-7H-purine-2,6-dione CAS Name: dioxonium; dichlorocopper; 1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: dioxidanium; dichlorocopper; 1,3-dimethyl-7H-purine-2,6-dione Traditional Name: dioxonium; dichlorocopper; theophylline Formula: C7H14Cl2CuN4O4+2 MolecularWeight: 352.66246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.[OH3+].[OH3+].Cl[Cu]Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.[OH3+].[OH3+].Cl[Cu]Cl

InChI

InChI=1S/C7H8N4O2.2ClH.Cu.2H2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;;;/h3H,1-2H3,(H,8,9);2*1H;;2*1H2/q;;;+2;;