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

Systemtic Name: 7-(2,2-dimethylbutanoyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylbutanoyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2,2-dimethyl-1-oxobutyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylbutanoyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2,2-dimethylbutanoyl)-3-methyl-xanthine Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3/c1-5-12(2,3)10(18)16-6-13-8-7(16)9(17)14-11(19)15(8)4/h6H,5H2,1-4H3,(H,14,17,19)