Pyridin-3-Ylmethyl 2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Acetate Hydrochloride
[CAS# 38953-18-3]

Identification

• Name: Pyridin-3-Ylmethyl 2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Acetate Hydrochloride
• Synonyms: 3-Pyridylmethyl 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Acetate Hydrochloride; 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Acetic Acid 3-Pyridylmethyl Ester Hydrochloride; 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Acetic Acid 3-Pyridylmethyl Ester Hydrochloride
• Molecular Formula: C₁₅H₁₆ClN₅O₄
• Molecular Weight: 365.78
• CAS Registry Number: 38953-18-3
• SMILES: [H+].C1=NC3=C([N]1CC(OCC2=CC=CN=C2)=O)C(=O)N(C(=O)N3C)C.[Cl-]
• InChI: 1S/C15H15N5O4.ClH/c1-18-13-12(14(22)19(2)15(18)23)20(9-17-13)7-11(21)24-8-10-4-3-5-16-6-10;/h3-6,9H,7-8H2,1-2H3;1H
• InChIKey: TWLYHAYCGQAQJW-UHFFFAOYSA-N

Properties

• Boiling point: 588.8°C at 760 mmHg (Cal.)
• Flash point: 309.9°C (Cal.)