8-bromanyl-7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C16H16BrClN4O4 MolecularWeight: 443.67964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C16H16BrClN4O4/c1-20-13-12(14(24)21(2)16(20)25)22(15(17)19-13)7-10(23)8-26-11-5-3-9(18)4-6-11/h3-6,10,23H,7-8H2,1-2H3