1,3-Dimethyl-7-[2-(Nicotinoyloxy)-3-(N-Nicotinoyl-N-Methylamino)Propyl]-1H-Purine-2,6(3H,7H)-Dione
[CAS# 51920-68-4]

Identification

• Name: 1,3-Dimethyl-7-[2-(Nicotinoyloxy)-3-(N-Nicotinoyl-N-Methylamino)Propyl]-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: [1-[(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Methyl]-2-(Methyl-(Pyridine-3-Carbonyl)Amino)Ethyl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [1-[(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Methyl]-2-[Methyl-[Oxo-(3-Pyridyl)Methyl]Amino]Ethyl] Ester; Nicotinic Acid [1-[(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Methyl]-2-(Methyl-(Pyridine-3-Carbonyl)Amino)Ethyl] Ester
• Molecular Formula: C₂₃H₂₃N₇O₅
• Molecular Weight: 477.48
• CAS Registry Number: 51920-68-4
• SMILES: C1=NC=CC=C1C(=O)OC(C[N]2C=NC3=C2C(N(C(N3C)=O)C)=O)CN(C(=O)C4=CC=CN=C4)C
• InChI: 1S/C23H23N7O5/c1-27(20(31)15-6-4-8-24-10-15)12-17(35-22(33)16-7-5-9-25-11-16)13-30-14-26-19-18(30)21(32)29(3)23(34)28(19)2/h4-11,14,17H,12-13H2,1-3H3
• InChIKey: JWOAHBGIMRMGOY-UHFFFAOYSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 769.534°C at 760 mmHg (Cal.)
• Flash point: 419.199°C (Cal.)