[1-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)-3-[Methyl-[2-(Pyridine-3-Carbonyloxy)Ethyl]Amino]Propan-2-Yl] Pyridine-3-Carboxylate
[CAS# 47798-98-1]

Identification

• Name: [1-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)-3-[Methyl-[2-(Pyridine-3-Carbonyloxy)Ethyl]Amino]Propan-2-Yl] Pyridine-3-Carboxylate
• Synonyms: [1-[(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Methyl]-2-[Methyl-[2-(Pyridine-3-Carbonyloxy)Ethyl]Amino]Ethyl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [1-[(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Methyl]-2-[Methyl-[2-[Oxo-(3-Pyridyl)Methoxy]Ethyl]Amino]Ethyl] Ester; Nicotinic Acid [1-[(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Methyl]-2-[Methyl-[2-(Pyridine-3-Carbonyloxy)Ethyl]Amino]Ethyl] Ester
• Molecular Formula: C₂₅H₂₇N₇O₆
• Molecular Weight: 521.53
• CAS Registry Number: 47798-98-1
• SMILES: C1=NC=CC=C1C(=O)OC(CN(CCOC(=O)C2=CC=CN=C2)C)C[N]3C=NC4=C3C(N(C(N4C)=O)C)=O
• InChI: 1S/C25H27N7O6/c1-29(10-11-37-23(34)17-6-4-8-26-12-17)14-19(38-24(35)18-7-5-9-27-13-18)15-32-16-28-21-20(32)22(33)31(3)25(36)30(21)2/h4-9,12-13,16,19H,10-11,14-15H2,1-3H3
• InChIKey: YFKHCTUGRLKLOC-UHFFFAOYSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 746.713°C at 760 mmHg (Cal.)
• Flash point: 405.397°C (Cal.)