8-tert-butyl-3-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-tert-butyl-3-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-tert-butyl-3-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-tert-butyl-3-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-tert-butyl-3-[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-8-tert-butyl-3-p-anisyl-xanthine Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H26N4O3/c1-24(2,3)22-25-20-19(27(22)14-16-8-6-5-7-9-16)21(29)26-23(30)28(20)15-17-10-12-18(31-4)13-11-17/h5-13H,14-15H2,1-4H3,(H,26,29,30)