[1-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propan-2-yl] acetate
[CAS# 20630-44-8]

Identification

• Name: [1-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propan-2-yl] acetate
• Synonyms: [1-[[4-[(4-Chlorophenyl)Methyl]Piperazin-1-Yl]Methyl]-2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl] Acetate; Acetic Acid [1-[[4-[(4-Chlorophenyl)Methyl]-1-Piperazinyl]Methyl]-2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl] Ester; Acetic Acid [1-[[4-(4-Chlorobenzyl)Piperazin-1-Yl]Methyl]-2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl] Ester
• Molecular Formula: C₂₃H₂₉ClN₆O₄
• Molecular Weight: 488.97
• CAS Registry Number: 20630-44-8
• SMILES: C1=NC4=C([N]1CC(OC(C)=O)CN2CCN(CC2)CC3=CC=C(C=C3)Cl)C(N(C(N4C)=O)C)=O
• InChI: 1S/C23H29ClN6O4/c1-16(31)34-19(14-30-15-25-21-20(30)22(32)27(3)23(33)26(21)2)13-29-10-8-28(9-11-29)12-17-4-6-18(24)7-5-17/h4-7,15,19H,8-14H2,1-3H3
• InChIKey: QAHKXGKBWZDJRZ-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 673.498°C at 760 mmHg (Cal.)
• Flash point: 361.119°C (Cal.)