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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=C(N2)C3CNCCN3C(=O)O)N(C1=O)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=C(N2)C3CNCCN3C(=O)O)N(C1=O)C

InChI

InChI=1S/C17H24N6O6/c1-17(2,3)14(25)29-8-23-13(24)10-12(21(4)15(23)26)20-11(19-10)9-7-18-5-6-22(9)16(27)28/h9,18H,5-8H2,1-4H3,(H,19,20)(H,27,28)