7-(2,2-dimethylpropyl)-8-methyl-3-(2-methylbutyl)-1-propyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-8-methyl-3-(2-methylbutyl)-1-propyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-8-methyl-3-(2-methylbutyl)-1-propyl-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-8-methyl-3-(2-methylbutyl)-1-propylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-8-methyl-3-(2-methylbutyl)-1-propylpurine-2,6-dione Traditional Name: 8-methyl-3-(2-methylbutyl)-7-neopentyl-1-propyl-xanthine Formula: C19H32N4O2 MolecularWeight: 348.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(C)(C)C)C)N(C1=O)CC(C)CC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(C)(C)C)C)N(C1=O)CC(C)CC

InChI

InChI=1S/C19H32N4O2/c1-8-10-21-17(24)15-16(22(18(21)25)11-13(3)9-2)20-14(4)23(15)12-19(5,6)7/h13H,8-12H2,1-7H3