2-[7-but-2-ynyl-9-(2,2-dimethylpropanoyloxymethyl)-8-oxidanylidene-purin-6-yl]-2-chloranyl-piperazine-1-carboxylic acid

Systemtic Name: 2-[7-but-2-ynyl-9-(2,2-dimethylpropanoyloxymethyl)-8-oxidanylidene-purin-6-yl]-2-chloranyl-piperazine-1-carboxylic acid Openeye Name: 2-[7-but-2-ynyl-9-(2,2-dimethylpropanoyloxymethyl)-8-oxo-purin-6-yl]-2-chloro-piperazine-1-carboxylic acid CAS Name: 2-[7-but-2-ynyl-9-[(2,2-dimethyl-1-oxopropoxy)methyl]-8-oxo-6-purinyl]-2-chloro-1-piperazinecarboxylic acid IUPAC Name: 2-[7-but-2-ynyl-9-(2,2-dimethylpropanoyloxymethyl)-8-oxopurin-6-yl]-2-chloropiperazine-1-carboxylic acid Traditional Name: 2-[7-but-2-ynyl-8-keto-9-(pivaloyloxymethyl)purin-6-yl]-2-chloro-piperazine-1-carboxylic acid Formula: C20H25ClN6O5 MolecularWeight: 464.9027

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N(C1=O)COC(=O)C(C)(C)C)C3(CNCCN3C(=O)O)Cl

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N(C1=O)COC(=O)C(C)(C)C)C3(CNCCN3C(=O)O)Cl

InChI

InChI=1S/C20H25ClN6O5/c1-5-6-8-25-13-14(20(21)10-22-7-9-27(20)18(30)31)23-11-24-15(13)26(17(25)29)12-32-16(28)19(2,3)4/h11,22H,7-10,12H2,1-4H3,(H,30,31)