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

Systemtic Name: 8-bromanyl-7-[(4-methoxy-3-nitro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(4-methoxy-3-nitro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[(4-methoxy-3-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(4-methoxy-3-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-(4-methoxy-3-nitro-benzyl)-1,3-dimethyl-xanthine Formula: C15H14BrN5O5 MolecularWeight: 424.20616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrN5O5/c1-18-12-11(13(22)19(2)15(18)23)20(14(16)17-12)7-8-4-5-10(26-3)9(6-8)21(24)25/h4-6H,7H2,1-3H3