6-[(3-Fluorophenyl)Methylsulfanyl]-9-(Oxan-2-Yl)Purine
[CAS# 3918-07-8]

Identification

• Name: 6-[(3-Fluorophenyl)Methylsulfanyl]-9-(Oxan-2-Yl)Purine
• Synonyms: 6-[(3-Fluorophenyl)Methylsulfanyl]-9-Tetrahydropyran-2-Yl-Purine; 6-[(3-Fluorophenyl)Methylthio]-9-(2-Tetrahydropyranyl)Purine; 6-[(3-Fluorobenzyl)Thio]-9-Tetrahydropyran-2-Yl-Purine
• Molecular Formula: C₁₇H₁₇FN₄OS
• Molecular Weight: 344.41
• CAS Registry Number: 3918-07-8
• SMILES: C1=CC(=CC(=C1)CSC2=NC=NC3=C2N=C[N]3C4CCCCO4)F
• InChI: 1S/C17H17FN4OS/c18-13-5-3-4-12(8-13)9-24-17-15-16(19-10-20-17)22(11-21-15)14-6-1-2-7-23-14/h3-5,8,10-11,14H,1-2,6-7,9H2
• InChIKey: CEOUXWZVBBHYKV-UHFFFAOYSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 541.902°C at 760 mmHg (Cal.)
• Flash point: 281.532°C (Cal.)