7-[2-[4-[(4-Chlorophenyl)Methyl]-1-Piperazinyl]Ethyl]Theophyline
[CAS# 19971-80-3]

Identification

• Name: 7-[2-[4-[(4-Chlorophenyl)Methyl]-1-Piperazinyl]Ethyl]Theophyline
• Synonyms: 7-[2-[4-[(4-Chlorophenyl)Methyl]Piperazin-1-Yl]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-[4-[(4-Chlorophenyl)Methyl]-1-Piperazinyl]Ethyl]-1,3-Dimethylpurine-2,6-Dione; 7-[2-[4-(4-Chlorobenzyl)Piperazin-1-Yl]Ethyl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₂₀H₂₅ClN₆O₂
• Molecular Weight: 416.91
• CAS Registry Number: 19971-80-3
• SMILES: C1=CC(=CC=C1Cl)CN2CCN(CC2)CC[N]3C4=C(N=C3)N(C(=O)N(C4=O)C)C
• InChI: 1S/C20H25ClN6O2/c1-23-18-17(19(28)24(2)20(23)29)27(14-22-18)12-11-25-7-9-26(10-8-25)13-15-3-5-16(21)6-4-15/h3-6,14H,7-13H2,1-2H3
• InChIKey: MSCBOUJTRMBGHM-UHFFFAOYSA-N