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

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-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=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OC)CC4=CC(=CC=C4)Br

InChI

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