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

Systemtic Name: 7-[(5-bromanyl-2-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-bromo-2-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5-bromo-2-methoxy-benzyl)-1,3-dimethyl-xanthine Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN4O3/c1-18-13-12(14(21)19(2)15(18)22)20(8-17-13)7-9-6-10(16)4-5-11(9)23-3/h4-6,8H,7H2,1-3H3