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

Systemtic Name: 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-[(2,2-dimethyl-1-oxopropoxy)methyl]-3-methyl-2,6-dioxo-7H-purin-8-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[2,6-diketo-3-methyl-1-(pivaloyloxymethyl)-7H-purin-8-yl]piperazine-1-carboxylic acid Formula: C17H24N6O6 MolecularWeight: 408.40906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=C(N2)N3CCN(CC3)C(=O)O)N(C1=O)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=C(N2)N3CCN(CC3)C(=O)O)N(C1=O)C

InChI

InChI=1S/C17H24N6O6/c1-17(2,3)13(25)29-9-23-12(24)10-11(20(4)15(23)26)19-14(18-10)21-5-7-22(8-6-21)16(27)28/h5-9H2,1-4H3,(H,18,19)(H,27,28)