7-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromo-2,5-dimethoxy-benzyl)-1,3-dimethyl-xanthine Formula: C16H17BrN4O4 MolecularWeight: 409.23458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C16H17BrN4O4/c1-19-14-13(15(22)20(2)16(19)23)21(8-18-14)7-9-5-12(25-4)10(17)6-11(9)24-3/h5-6,8H,7H2,1-4H3