8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-tert-butylphenyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-tert-butylphenyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(4-tert-butylphenyl)-7-(2-methoxyethyl)xanthine Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-25(2,3)19-12-10-18(11-13-19)21-26-22-20(28(21)14-15-32-4)23(30)27-24(31)29(22)16-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,27,30,31)