7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)NC(=O)N2C

InChI

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