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

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(3-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(=CC=C3)OC)CC4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

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