5-((2-Hydroxy-1-naphthyl)methyl)-2-mercapto-6-phenyl-4-pyrimidinol
[CAS# 14513-15-6]

Identification

• Name: 5-((2-Hydroxy-1-naphthyl)methyl)-2-mercapto-6-phenyl-4-pyrimidinol
• Synonyms: 5-[(2-Hydroxy-1-Naphthyl)Methyl]-6-Phenyl-2-Thioxo-1H-Pyrimidin-4-One; Nci60_000275; Ncistruc1_001428
• Molecular Formula: C₂₁H₁₆N₂O₂S
• Molecular Weight: 360.43
• CAS Registry Number: 14513-15-6
• SMILES: C3=CC(=C(CC1=C(NC(=S)NC1=O)C2=CC=CC=C2)C4=C3C=CC=C4)O
• InChI: 1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
• InChIKey: RVNSQVIUFZVNAU-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 667°C at 760 mmHg (Cal.)
• Flash point: 357.2°C (Cal.)