8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-tert-butylphenoxy)-7-(2-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C24H25ClN4O3 MolecularWeight: 452.9333

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H25ClN4O3/c1-24(2,3)16-10-12-17(13-11-16)32-22-26-20-19(21(30)28(5)23(31)27(20)4)29(22)14-15-8-6-7-9-18(15)25/h6-13H,14H2,1-5H3