9-Butyl-6-[(3-Fluorophenyl)Methylsulfanyl]Purin-2-Amine
[CAS# 1581-22-2]

Identification

• Name: 9-Butyl-6-[(3-Fluorophenyl)Methylsulfanyl]Purin-2-Amine
• Synonyms: 9-Butyl-6-[(3-Fluorophenyl)Methylthio]-2-Purinamine; [9-Butyl-6-[(3-Fluorobenzyl)Thio]Purin-2-Yl]Amine; Nsc49819
• Molecular Formula: C₁₆H₁₈FN₅S
• Molecular Weight: 331.41
• CAS Registry Number: 1581-22-2
• SMILES: C1=C(F)C=C(C=C1)CSC2=NC(=NC3=C2N=C[N]3CCCC)N
• InChI: 1S/C16H18FN5S/c1-2-3-7-22-10-19-13-14(22)20-16(18)21-15(13)23-9-11-5-4-6-12(17)8-11/h4-6,8,10H,2-3,7,9H2,1H3,(H2,18,20,21)
• InChIKey: MVLJYUYNEUBQSR-UHFFFAOYSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 558.62°C at 760 mmHg (Cal.)
• Flash point: 291.643°C (Cal.)