7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[2,4,5-tris(chloranyl)phenoxy]purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[2,4,5-tris(chloranyl)phenoxy]purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2,4,5-trichlorophenoxy)purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2,4,5-trichlorophenoxy)purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2,4,5-trichlorophenoxy)purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-(2,4,5-trichlorophenoxy)xanthine Formula: C20H14BrCl3N4O3 MolecularWeight: 544.61316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC(=C(C=C3Cl)Cl)Cl)CC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC(=C(C=C3Cl)Cl)Cl)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrCl3N4O3/c1-26-17-16(18(29)27(2)20(26)30)28(9-10-3-5-11(21)6-4-10)19(25-17)31-15-8-13(23)12(22)7-14(15)24/h3-8H,9H2,1-2H3