7-[(5-bromanyl-2-methoxy-phenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(5-bromanyl-2-methoxy-phenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-bromo-2-methoxy-phenyl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-bromo-2-methoxyphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-bromo-2-methoxyphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5-bromo-2-methoxy-benzyl)-8-chloro-1,3-dimethyl-xanthine Formula: C15H14BrClN4O3 MolecularWeight: 413.65366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrClN4O3/c1-19-12-11(13(22)20(2)15(19)23)21(14(17)18-12)7-8-6-9(16)4-5-10(8)24-3/h4-6H,7H2,1-3H3