[1-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)-3-(Thiophene-2-Carbonyloxy)Propan-2-Yl] Thiophene-2-Carboxylate
[CAS# 37419-58-2]

Identification

• Name: [1-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)-3-(Thiophene-2-Carbonyloxy)Propan-2-Yl] Thiophene-2-Carboxylate
• Synonyms: [1-[(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Methyl]-2-(Thiophene-2-Carbonyloxy)Ethyl] Thiophene-2-Carboxylate; 2-Thiophenecarboxylic Acid [1-[(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Methyl]-2-[Oxo-(2-Thienyl)Methoxy]Ethyl] Ester; Thiophene-2-Carboxylic Acid [1-[(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Methyl]-2-(Thiophene-2-Carbonyloxy)Ethyl] Ester
• Molecular Formula: C₂₀H₁₈N₄O₆S₂
• Molecular Weight: 474.51
• CAS Registry Number: 37419-58-2
• SMILES: C1=NC4=C([N]1CC(OC(=O)C2=CC=CS2)COC(=O)C3=CC=CS3)C(=O)N(C(=O)N4C)C
• InChI: 1S/C20H18N4O6S2/c1-22-16-15(17(25)23(2)20(22)28)24(11-21-16)9-12(30-19(27)14-6-4-8-32-14)10-29-18(26)13-5-3-7-31-13/h3-8,11-12H,9-10H2,1-2H3
• InChIKey: IIEXVOUMGZOGQU-UHFFFAOYSA-N

Properties

• Density: 1.547g/cm³ (Cal.)
• Boiling point: 713.995°C at 760 mmHg (Cal.)
• Flash point: 385.61°C (Cal.)