8-bromanyl-7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chloroethyl)-1,3-dimethyl-xanthine Formula: C9H10BrClN4O2 MolecularWeight: 321.5583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCCl

InChI

InChI=1S/C9H10BrClN4O2/c1-13-6-5(7(16)14(2)9(13)17)15(4-3-11)8(10)12-6/h3-4H2,1-2H3