7-(2,2-dimethylpropyl)-3-phenyl-1-propyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-3-phenyl-1-propyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-3-phenyl-1-propyl-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-3-phenyl-1-propylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-3-phenyl-1-propylpurine-2,6-dione Traditional Name: 7-neopentyl-3-phenyl-1-propyl-xanthine Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CC(C)(C)C)N(C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CC(C)(C)C)N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2/c1-5-11-22-17(24)15-16(20-13-21(15)12-19(2,3)4)23(18(22)25)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3