7-(2,2-dimethylpropanoyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropanoyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropanoyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2,2-dimethyl-1-oxopropyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropanoyl)-3-methylpurine-2,6-dione Traditional Name: 3-methyl-7-pivaloyl-xanthine Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O3/c1-11(2,3)9(17)15-5-12-7-6(15)8(16)13-10(18)14(7)4/h5H,1-4H3,(H,13,16,18)