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

Systemtic Name: 8-(2,2-dimethylpropoxy)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(2,2-dimethylpropoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(2,2-dimethylpropoxy)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(2,2-dimethylpropoxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-neopentyloxy-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)COC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H20N4O3/c1-13(2,3)7-20-11-14-9-8(15(11)4)10(18)17(6)12(19)16(9)5/h7H2,1-6H3