[3-methyl-2,6-bis(oxidanylidene)-7-(trideuteriomethyl)purin-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-(trideuteriomethyl)purin-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [3-methyl-2,6-dioxo-7-(trideuteriomethyl)purin-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-methyl-2,6-dioxo-7-(trideuteriomethyl)-1-purinyl]methyl ester IUPAC Name: [3-methyl-2,6-dioxo-7-(trideuteriomethyl)purin-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2,6-diketo-3-methyl-7-(trideuteriomethyl)purin-1-yl]methyl ester Formula: C13H18N4O4 MolecularWeight: 297.324905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C)COC(=O)C(C)(C)C

InChI

InChI=1S/C13H18N4O4/c1-13(2,3)11(19)21-7-17-10(18)8-9(14-6-15(8)4)16(5)12(17)20/h6H,7H2,1-5H3/i4D3