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

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-3H-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-but-2-ynyl-1-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,6-dioxo-3H-purin-8-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-3H-purin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-but-2-ynyl-2,6-diketo-1-(pivaloyloxymethyl)-3H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H34N6O6 MolecularWeight: 502.56336

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=O)N(C2=O)COC(=O)C(C)(C)C)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(NC(=O)N(C2=O)COC(=O)C(C)(C)C)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H34N6O6/c1-8-9-10-29-16-17(26-21(33)30(18(16)31)15-35-19(32)23(2,3)4)25-20(29)27-11-13-28(14-12-27)22(34)36-24(5,6)7/h10-15H2,1-7H3,(H,26,33)