2-Methyl-5-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[5,1-b]Pyrimidin-7-One sulfate
[CAS# 151733-55-0]

Identification

• Name: 2-Methyl-5-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[5,1-b]Pyrimidin-7-One sulfate
• Synonyms: 2-Methyl-5-Propyl-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[5,1-B]Pyrimidin-7-One; Sulfuric Acid; 2-Methyl-5-Propyl-6-[[4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[5,1-B]Pyrimidin-7-One; Sulfuric Acid; (1,2,4)Triazolo(1,5-A)Pyrimidin-7-Ol, 2-Methyl-5-Propyl-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-, Sulfate (2:1) (Salt)
• Molecular Formula: C₄₆H₄₆N₁₆O₆S
• Molecular Weight: 951.03
• CAS Registry Number: 151733-55-0
• SMILES: O=[S](O)(O)=O.C3=C(CC2=C(N=C1N(NC(=N1)C)C2=O)CCC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5.C(C7=C(N=C6N(NC(=N6)C)C7=O)CCC)C8=CC=C(C=C8)C9=CC=CC=C9C%10=N[NH]N=N%10
• InChI: 1S/2C23H22N8O.H2O4S/c2*1-3-6-20-19(22(32)31-23(25-20)24-14(2)28-31)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-26-29-30-27-21;1-5(2,3)4/h2*4-5,7-12H,3,6,13H2,1-2H3,(H,24,25,28)(H,26,27,29,30);(H2,1,2,3,4)
• InChIKey: ONCZRCHEISNQJI-UHFFFAOYSA-N

Properties

• Boiling point: 649.6°C at 760 mmHg (Cal.)
• Flash point: 346.7°C (Cal.)