8-bromanyl-7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-xanthine Formula: C11H12BrClN4O2 MolecularWeight: 347.59558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C11H12BrClN4O2/c1-6(13)4-5-17-7-8(14-10(17)12)15(2)11(19)16(3)9(7)18/h4H,5H2,1-3H3/b6-4+