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

Systemtic Name: 7-[(4-bromanyl-2-nitro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromo-2-nitro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromo-2-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromo-2-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromo-2-nitro-benzyl)-1,3-dimethyl-xanthine Formula: C14H12BrN5O4 MolecularWeight: 394.18018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrN5O4/c1-17-12-11(13(21)18(2)14(17)22)19(7-16-12)6-8-3-4-9(15)5-10(8)20(23)24/h3-5,7H,6H2,1-2H3