5-[2-(3-azanylpurin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[2-(3-azanylpurin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(3-aminopurin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(3-amino-8-purinyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(3-aminopurin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(3-aminopurin-8-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H15N5O4 MolecularWeight: 305.2893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O4/c1-13(2)21-11(19)7(12(20)22-13)3-4-9-16-8-5-15-6-18(14)10(8)17-9/h5-7H,3-4,14H2,1-2H3