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

Systemtic Name: 4-[7-but-2-ynyl-3-(2,2-dimethylpropanoyloxymethyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[7-but-2-ynyl-3-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[7-but-2-ynyl-3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-but-2-ynyl-3-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[7-but-2-ynyl-2,6-diketo-3-(pivaloyloxymethyl)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(N=C1N3CCN(CC3)C(=O)O)N(C(=O)NC2=O)COC(=O)C(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)NC2=O)COC(=O)C(C)(C)C

InChI

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