potassium 1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: potassium 1,3-dimethyl-7H-purine-2,6-dione Openeye Name: potassium 1,3-dimethyl-7H-purine-2,6-dione CAS Name: potassium 1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: potassium 1,3-dimethyl-7H-purine-2,6-dione Traditional Name: potassium theophylline Formula: C7H8KN4O2+ MolecularWeight: 219.26232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.[K+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.[K+]

InChI

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