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

Systemtic Name: [7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-bis(oxidanylidene)-3H-purin-8-yl] piperazine-1-carboxylate Openeye Name: [7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-3H-purin-8-yl] piperazine-1-carboxylate CAS Name: 1-piperazinecarboxylic acid [7-but-2-ynyl-1-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,6-dioxo-3H-purin-8-yl] ester IUPAC Name: [7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-3H-purin-8-yl] piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid [7-but-2-ynyl-2,6-diketo-1-(pivaloyloxymethyl)-3H-purin-8-yl] ester Formula: C20H26N6O6 MolecularWeight: 446.45704

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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=C1OC(=O)N3CCNCC3

Isomeric SMILES

CC#CCN1C2=C(NC(=O)N(C2=O)COC(=O)C(C)(C)C)N=C1OC(=O)N3CCNCC3

InChI

InChI=1S/C20H26N6O6/c1-5-6-9-25-13-14(23-18(25)32-19(30)24-10-7-21-8-11-24)22-17(29)26(15(13)27)12-31-16(28)20(2,3)4/h21H,7-12H2,1-4H3,(H,22,29)