5-[3-(2,6-dimethylpurin-9-yl)propyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[3-(2,6-dimethylpurin-9-yl)propyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[3-(2,6-dimethylpurin-9-yl)propyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[3-(2,6-dimethyl-9-purinyl)propyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[3-(2,6-dimethylpurin-9-yl)propyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[3-(2,6-dimethylpurin-9-yl)propyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C16H20N4O4 MolecularWeight: 332.3544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)C)N(C=N2)CCCC3C(=O)OC(OC3=O)(C)C

Isomeric SMILES

CC1=C2C(=NC(=N1)C)N(C=N2)CCCC3C(=O)OC(OC3=O)(C)C

InChI

InChI=1S/C16H20N4O4/c1-9-12-13(19-10(2)18-9)20(8-17-12)7-5-6-11-14(21)23-16(3,4)24-15(11)22/h8,11H,5-7H2,1-4H3