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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)N1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C(C)(C)C

Isomeric SMILES

CCCC(C(=O)OCC)N1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C(C)(C)C

InChI

InChI=1S/C19H28N4O6/c1-7-9-12(16(25)28-8-2)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