ethyl 4-[7-(2,2-dimethylpropanoyloxymethyl)-1-methyl-2,6-bis(oxidanylidene)purin-3-yl]-2-methyl-butanoate

Systemtic Name: ethyl 4-[7-(2,2-dimethylpropanoyloxymethyl)-1-methyl-2,6-bis(oxidanylidene)purin-3-yl]-2-methyl-butanoate Openeye Name: ethyl 4-[7-(2,2-dimethylpropanoyloxymethyl)-1-methyl-2,6-dioxo-purin-3-yl]-2-methyl-butanoate CAS Name: 4-[7-[(2,2-dimethyl-1-oxopropoxy)methyl]-1-methyl-2,6-dioxo-3-purinyl]-2-methylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[7-(2,2-dimethylpropanoyloxymethyl)-1-methyl-2,6-dioxopurin-3-yl]-2-methylbutanoate Traditional Name: 4-[2,6-diketo-1-methyl-7-(pivaloyloxymethyl)purin-3-yl]-2-methyl-butyric acid ethyl ester Formula: C19H28N4O6 MolecularWeight: 408.44882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C(C)(C)C

InChI

InChI=1S/C19H28N4O6/c1-7-28-16(25)12(2)8-9-23-14-13(15(24)21(6)18(23)27)22(10-20-14)11-29-17(26)19(3,4)5/h10,12H,7-9,11H2,1-6H3