7-(2,2-dimethylpropyl)-1,3,8-trimethyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-1,3,8-trimethyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-1,3,8-trimethyl-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-1,3,8-trimethylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-1,3,8-trimethylpurine-2,6-dione Traditional Name: 1,3,8-trimethyl-7-neopentyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC(C)(C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(N1CC(C)(C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H20N4O2/c1-8-14-10-9(17(8)7-13(2,3)4)11(18)16(6)12(19)15(10)5/h7H2,1-6H3