8-bromanyl-7-[[4-(3-bromanylphenoxy)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[[4-(3-bromanylphenoxy)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[[4-(3-bromophenoxy)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[[4-(3-bromophenoxy)phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[[4-(3-bromophenoxy)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[4-(3-bromophenoxy)benzyl]-1,3-dimethyl-xanthine Formula: C20H16Br2N4O3 MolecularWeight: 520.17404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=C(C=C3)OC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=C(C=C3)OC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H16Br2N4O3/c1-24-17-16(18(27)25(2)20(24)28)26(19(22)23-17)11-12-6-8-14(9-7-12)29-15-5-3-4-13(21)10-15/h3-10H,11H2,1-2H3