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

Systemtic Name: 8-bromanyl-7-[(E)-3-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(E)-3-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(E)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(E)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[(E)-3-chlorobut-2-enyl]-3-methyl-xanthine Formula: C10H10BrClN4O2 MolecularWeight: 333.569

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C10H10BrClN4O2/c1-5(12)3-4-16-6-7(13-9(16)11)15(2)10(18)14-8(6)17/h3H,4H2,1-2H3,(H,14,17,18)/b5-3+