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

Systemtic Name: 7-(2,2-dimethylpropyl)-3-(2-methylbutyl)-8-propyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-3-(2-methylbutyl)-8-propyl-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-3-(2-methylbutyl)-8-propylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-3-(2-methylbutyl)-8-propylpurine-2,6-dione Traditional Name: 3-(2-methylbutyl)-7-neopentyl-8-propyl-xanthine Formula: C18H30N4O2 MolecularWeight: 334.4564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC(C)(C)C)C(=O)NC(=O)N2CC(C)CC

Isomeric SMILES

CCCC1=NC2=C(N1CC(C)(C)C)C(=O)NC(=O)N2CC(C)CC

InChI

InChI=1S/C18H30N4O2/c1-7-9-13-19-15-14(22(13)11-18(4,5)6)16(23)20-17(24)21(15)10-12(3)8-2/h12H,7-11H2,1-6H3,(H,20,23,24)