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

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

Isomeric SMILES

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

InChI

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