2-[[6-Bromo-3-(3-Hydroxy-4-Methoxycarbonylphenyl)-4-Oxoquinazolin-2-Yl]Methylsulfanyl]Propanoic Acid
[CAS# 155104-16-8]

Identification

• Name: 2-[[6-Bromo-3-(3-Hydroxy-4-Methoxycarbonylphenyl)-4-Oxoquinazolin-2-Yl]Methylsulfanyl]Propanoic Acid
• Synonyms: 2-[[6-Bromo-3-(3-Hydroxy-4-Methoxycarbonyl-Phenyl)-4-Oxo-Quinazolin-2-Yl]Methylsulfanyl]Propanoic Acid; 2-[[6-Bromo-3-(3-Hydroxy-4-Methoxycarbonylphenyl)-4-Oxo-2-Quinazolinyl]Methylthio]Propanoic Acid; 2-[[6-Bromo-3-(4-Carbomethoxy-3-Hydroxy-Phenyl)-4-Keto-Quinazolin-2-Yl]Methylthio]Propionic Acid
• Molecular Formula: C₂₀H₁₇BrN₂O₆S
• Molecular Weight: 493.33
• CAS Registry Number: 155104-16-8
• SMILES: C2=C1C(=O)N(C(=NC1=CC=C2Br)CSC(C(=O)O)C)C3=CC(=C(C=C3)C(OC)=O)O
• InChI: 1S/C20H17BrN2O6S/c1-10(19(26)27)30-9-17-22-15-6-3-11(21)7-14(15)18(25)23(17)12-4-5-13(16(24)8-12)20(28)29-2/h3-8,10,24H,9H2,1-2H3,(H,26,27)
• InChIKey: BSEYJOSNSXHVGH-UHFFFAOYSA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Boiling point: 691.227°C at 760 mmHg (Cal.)
• Flash point: 371.841°C (Cal.)