[1-(4-Benzylpiperazin-1-Yl)-3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Propan-2-Yl] Acetate
[CAS# 19977-15-2]

Identification

• Name: [1-(4-Benzylpiperazin-1-Yl)-3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Propan-2-Yl] Acetate
• Synonyms: [1-[(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Methyl]-2-[4-(Phenylmethyl)Piperazin-1-Yl]Ethyl] Acetate; Acetic Acid [1-[(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Methyl]-2-[4-(Phenylmethyl)-1-Piperazinyl]Ethyl] Ester; Acetic Acid [1-[[4-(Benzyl)Piperazin-1-Yl]Methyl]-2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl] Ester
• Molecular Formula: C₂₃H₃₀N₆O₄
• Molecular Weight: 454.53
• CAS Registry Number: 19977-15-2
• SMILES: C1=NC4=C([N]1CC(OC(C)=O)CN2CCN(CC2)CC3=CC=CC=C3)C(N(C(N4C)=O)C)=O
• InChI: 1S/C23H30N6O4/c1-17(30)33-19(14-28-11-9-27(10-12-28)13-18-7-5-4-6-8-18)15-29-16-24-21-20(29)22(31)26(3)23(32)25(21)2/h4-8,16,19H,9-15H2,1-3H3
• InChIKey: YCKLTJXYMIFEAV-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 652.268°C at 760 mmHg (Cal.)
• Flash point: 348.279°C (Cal.)