potassium 5-[2-(2-chloranylpurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: potassium 5-[2-(2-chloranylpurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: potassium 5-[2-(2-chloropurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: potassium 5-[2-(2-chloro-9-purinyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: potassium 5-[2-(2-chloropurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: potassium 5-[2-(2-chloropurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H13ClKN4O4+ MolecularWeight: 363.81802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCN2C=NC3=CN=C(N=C32)Cl)C.[K+]

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCN2C=NC3=CN=C(N=C32)Cl)C.[K+]

InChI

InChI=1S/C13H13ClN4O4.K/c1-13(2)21-10(19)7(11(20)22-13)3-4-18-6-16-8-5-15-12(14)17-9(8)18;/h5-7H,3-4H2,1-2H3;/q;+1