5-[2-(3-azanyl-1-iodanyl-2H-purin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[2-(3-azanyl-1-iodanyl-2H-purin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(3-amino-1-iodo-2H-purin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(3-amino-1-iodo-2H-purin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(3-amino-1-iodo-2H-purin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(3-amino-1-iodo-2H-purin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H16IN5O4 MolecularWeight: 433.20171

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCC2=NC3=CN(CN(C3=N2)N)I)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCC2=NC3=CN(CN(C3=N2)N)I)C

InChI

InChI=1S/C13H16IN5O4/c1-13(2)22-11(20)7(12(21)23-13)3-4-9-16-8-5-18(14)6-19(15)10(8)17-9/h5,7H,3-4,6,15H2,1-2H3