azane; 1,3-dimethyl-7H-purine-2,6-dione; ruthenium(3+); trichloride

Systemtic Name: azane; 1,3-dimethyl-7H-purine-2,6-dione; ruthenium(3+); trichloride Openeye Name: ammonia; 1,3-dimethyl-7H-purine-2,6-dione; ruthenium(3+); trichloride CAS Name: ammonia; 1,3-dimethyl-7H-purine-2,6-dione; ruthenium(3+); trichloride IUPAC Name: azane; 1,3-dimethyl-7H-purine-2,6-dione; ruthenium(3+); trichloride Traditional Name: ammonia; ruthenium(3+); theophylline; trichloride Formula: C7H23Cl3N9O2Ru MolecularWeight: 472.74562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Ru+3]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Ru+3]

InChI

InChI=1S/C7H8N4O2.3ClH.5H3N.Ru/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;;;;;;;/h3H,1-2H3,(H,8,9);3*1H;5*1H3;/q;;;;;;;;;+3/p-3