7-(2,2-dimethylpropanoyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropanoyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropanoyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2,2-dimethyl-1-oxopropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropanoyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-pivaloyl-xanthine Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H16N4O3/c1-12(2,3)10(18)16-6-13-8-7(16)9(17)15(5)11(19)14(8)4/h6H,1-5H3