7-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(2-bromo-4-chloro-phenoxy)ethyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(2-bromo-4-chlorophenoxy)ethyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(2-bromo-4-chlorophenoxy)ethyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(2-bromo-4-chloro-phenoxy)ethyl]-8-chloro-1,3-dimethyl-xanthine Formula: C15H13BrCl2N4O3 MolecularWeight: 448.09872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCOC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCOC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C15H13BrCl2N4O3/c1-20-12-11(13(23)21(2)15(20)24)22(14(18)19-12)5-6-25-10-4-3-8(17)7-9(10)16/h3-4,7H,5-6H2,1-2H3