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

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

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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=C3)OC)CC4=CC=CC=C4Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OC)CC4=CC=CC=C4Br

InChI

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