7-[(6-bromanyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(6-bromanyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(6-bromo-4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(6-bromo-4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(6-bromo-4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(6-bromo-4-keto-1,2,3-benzotriazin-3-yl)methyl]-1,3-dimethyl-xanthine Formula: C15H12BrN7O3 MolecularWeight: 418.20488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C(=O)C4=C(C=CC(=C4)Br)N=N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C(=O)C4=C(C=CC(=C4)Br)N=N3

InChI

InChI=1S/C15H12BrN7O3/c1-20-12-11(14(25)21(2)15(20)26)22(6-17-12)7-23-13(24)9-5-8(16)3-4-10(9)18-19-23/h3-6H,7H2,1-2H3