6-[(2-Fluorophenyl)Methylsulfanyl]-9-(Oxan-2-Yl)Purine
[CAS# 3799-60-8]

Identification

• Name: 6-[(2-Fluorophenyl)Methylsulfanyl]-9-(Oxan-2-Yl)Purine
• Synonyms: 6-[(2-Fluorophenyl)Methylsulfanyl]-9-Tetrahydropyran-2-Yl-Purine; 6-[(2-Fluorophenyl)Methylthio]-9-(2-Tetrahydropyranyl)Purine; 6-[(2-Fluorobenzyl)Thio]-9-Tetrahydropyran-2-Yl-Purine
• Molecular Formula: C₁₇H₁₇FN₄OS
• Molecular Weight: 344.41
• CAS Registry Number: 3799-60-8
• SMILES: C1=CC(=C(C=C1)CSC2=NC=NC3=C2N=C[N]3C4CCCCO4)F
• InChI: 1S/C17H17FN4OS/c18-13-6-2-1-5-12(13)9-24-17-15-16(19-10-20-17)22(11-21-15)14-7-3-4-8-23-14/h1-2,5-6,10-11,14H,3-4,7-9H2
• InChIKey: ZARXBQKUTQSBNW-UHFFFAOYSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 544.327°C at 760 mmHg (Cal.)
• Flash point: 282.999°C (Cal.)