9-[(4-Acetyl-3-Hydroxy-2-Propylphenoxy)Methyl]-3-(2H-Tetrazol-5-Yl)Pyrido[2,1-b]Pyrimidin-4-One
[CAS# 108427-72-1]

Identification

• Name: 9-[(4-Acetyl-3-Hydroxy-2-Propylphenoxy)Methyl]-3-(2H-Tetrazol-5-Yl)Pyrido[2,1-b]Pyrimidin-4-One
• Synonyms: 9-[(4-Acetyl-3-Hydroxy-2-Propyl-Phenoxy)Methyl]-3-(2H-Tetrazol-5-Yl)Pyrido[2,1-B]Pyrimidin-4-One; 9-[(4-Acetyl-3-Hydroxy-2-Propylphenoxy)Methyl]-3-(2H-Tetrazol-5-Yl)-4-Pyrido[2,1-B]Pyrimidinone; 9-[(4-Ethanoyl-3-Hydroxy-2-Propyl-Phenoxy)Methyl]-3-(2H-1,2,3,4-Tetrazol-5-Yl)Pyrido[2,1-B]Pyrimidin-4-One
• Molecular Formula: C₂₁H₂₀N₆O₄
• Molecular Weight: 420.43
• CAS Registry Number: 108427-72-1
• SMILES: C1=CC(=C(O)C(=C1OCC2=CC=CN3C2=NC=C(C3=O)C4=N[NH]N=N4)CCC)C(=O)C
• InChI: 1S/C21H20N6O4/c1-3-5-15-17(8-7-14(12(2)28)18(15)29)31-11-13-6-4-9-27-20(13)22-10-16(21(27)30)19-23-25-26-24-19/h4,6-10,29H,3,5,11H2,1-2H3,(H,23,24,25,26)
• InChIKey: RVRGDCZGEKSIRW-UHFFFAOYSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 678.848°C at 760 mmHg (Cal.)
• Flash point: 364.354°C (Cal.)