1-[(4-bromophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(4-bromophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-8-(4-methoxyphenoxy)-3,7-dimethyl-xanthine Formula: C21H19BrN4O4 MolecularWeight: 471.30396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C21H19BrN4O4/c1-24-17-18(23-20(24)30-16-10-8-15(29-3)9-11-16)25(2)21(28)26(19(17)27)12-13-4-6-14(22)7-5-13/h4-11H,12H2,1-3H3