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

Systemtic Name: 8-bromanyl-7-[[3-(4-methoxyphenoxy)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[[3-(4-methoxyphenoxy)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[[3-(4-methoxyphenoxy)phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[[3-(4-methoxyphenoxy)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[3-(4-methoxyphenoxy)benzyl]-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)Br)CC3=CC(=CC=C3)OC4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

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