tert-butyl 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[1-[(2,2-dimethyl-1-oxopropoxy)methyl]-3-methyl-2,6-dioxo-7H-purin-8-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-3-methyl-1-(pivaloyloxymethyl)-7H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32N6O6 MolecularWeight: 464.51538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=C(N2)N3CCN(CC3)C(=O)OC(C)(C)C)N(C1=O)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=C(N2)N3CCN(CC3)C(=O)OC(C)(C)C)N(C1=O)C

InChI

InChI=1S/C21H32N6O6/c1-20(2,3)16(29)32-12-27-15(28)13-14(24(7)18(27)30)23-17(22-13)25-8-10-26(11-9-25)19(31)33-21(4,5)6/h8-12H2,1-7H3,(H,22,23)