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

Systemtic Name: 4-[7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-3H-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[7-but-2-ynyl-1-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,6-dioxo-3H-purin-8-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-but-2-ynyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-3H-purin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[7-but-2-ynyl-2,6-diketo-1-(pivaloyloxymethyl)-3H-purin-8-yl]piperazine-1-carboxylic acid 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=C1N3CCN(CC3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O6/c1-5-6-7-25-13-14(21-17(25)23-8-10-24(11-9-23)19(30)31)22-18(29)26(15(13)27)12-32-16(28)20(2,3)4/h7-12H2,1-4H3,(H,22,29)(H,30,31)