1-[(4-tert-butylphenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(4-tert-butylphenyl)methyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[(4-tert-butylphenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(4-tert-butylphenyl)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-(4-tert-butylbenzyl)-7-ethyl-xanthine Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H28N4O2/c1-5-27-17-26-22-21(27)23(30)29(16-19-11-13-20(14-12-19)25(2,3)4)24(31)28(22)15-18-9-7-6-8-10-18/h6-14,17H,5,15-16H2,1-4H3