7-[2-(Benzoyloxy)-3-[4-(2-Phenylethyl)-1-Piperazinyl]Propyl]-1,3-Dimethyl-7H-Purine-2,6(1H,3H)-Dione
[CAS# 20153-86-0]

Identification

• Name: 7-[2-(Benzoyloxy)-3-[4-(2-Phenylethyl)-1-Piperazinyl]Propyl]-1,3-Dimethyl-7H-Purine-2,6(1H,3H)-Dione
• Synonyms: [1-[(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Methyl]-2-[4-(2-Phenylethyl)Piperazin-1-Yl]Ethyl] Benzoate; Benzoic Acid [1-[(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Methyl]-2-[4-(2-Phenylethyl)-1-Piperazinyl]Ethyl] Ester; Benzoic Acid [1-[(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Methyl]-2-[4-(2-Phenylethyl)Piperazin-1-Yl]Ethyl] Ester
• Molecular Formula: C₂₉H₃₄N₆O₄
• Molecular Weight: 530.63
• CAS Registry Number: 20153-86-0
• SMILES: C1=NC5=C([N]1CC(OC(=O)C2=CC=CC=C2)CN3CCN(CC3)CCC4=CC=CC=C4)C(=O)N(C(=O)N5C)C
• InChI: 1S/C29H34N6O4/c1-31-26-25(27(36)32(2)29(31)38)35(21-30-26)20-24(39-28(37)23-11-7-4-8-12-23)19-34-17-15-33(16-18-34)14-13-22-9-5-3-6-10-22/h3-12,21,24H,13-20H2,1-2H3
• InChIKey: LJKXRHPJYNFFRM-UHFFFAOYSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 725.202°C at 760 mmHg (Cal.)
• Flash point: 392.388°C (Cal.)