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

Systemtic Name: potassium 5-[2-[2,6-bis(chloranyl)purin-9-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: potassium 5-[2-(2,6-dichloropurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: potassium 5-[2-(2,6-dichloro-9-purinyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: potassium 5-[2-(2,6-dichloropurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: potassium 5-[2-(2,6-dichloropurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H12Cl2KN4O4+ MolecularWeight: 398.26308

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCN2C=NC3=C2N=C(N=C3Cl)Cl)C.[K+]

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCN2C=NC3=C2N=C(N=C3Cl)Cl)C.[K+]

InChI

InChI=1S/C13H12Cl2N4O4.K/c1-13(2)22-10(20)6(11(21)23-13)3-4-19-5-16-7-8(14)17-12(15)18-9(7)19;/h5-6H,3-4H2,1-2H3;/q;+1