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

Systemtic Name: 8-bromanyl-7-[(E)-but-2-enyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(E)-but-2-enyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[(E)-but-2-enyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(E)-but-2-enyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[(E)-but-2-enyl]-1,3-dimethyl-xanthine Formula: C11H13BrN4O2 MolecularWeight: 313.15052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrN4O2/c1-4-5-6-16-7-8(13-10(16)12)14(2)11(18)15(3)9(7)17/h4-5H,6H2,1-3H3/b5-4+