8-[[3-(4-Fluorobenzoyl)Propyl]Thio]-1,7-Dihydro-1,3-Dimethyl-6-Thioxo-2H-Purin-2-One
[CAS# 6505-98-2]

Identification

• Name: 8-[[3-(4-Fluorobenzoyl)Propyl]Thio]-1,7-Dihydro-1,3-Dimethyl-6-Thioxo-2H-Purin-2-One
• Synonyms: 8-[4-(4-Fluorophenyl)-4-Oxo-Butyl]Sulfanyl-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 8-[[4-(4-Fluorophenyl)-4-Oxobutyl]Thio]-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 8-[[4-(4-Fluorophenyl)-4-Keto-Butyl]Thio]-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One
• Molecular Formula: C₁₇H₁₇FN₄O₂S₂
• Molecular Weight: 392.47
• CAS Registry Number: 6505-98-2
• SMILES: C3=C(C(CCCSC2=NC1=C(C(N(C)C(N1C)=O)=S)[NH]2)=O)C=CC(=C3)F
• InChI: 1S/C17H17FN4O2S2/c1-21-14-13(15(25)22(2)17(21)24)19-16(20-14)26-9-3-4-12(23)10-5-7-11(18)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,19,20)
• InChIKey: BEBDNAPSDUYCHM-UHFFFAOYSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Boiling point: 624.642°C at 760 mmHg (Cal.)
• Flash point: 331.572°C (Cal.)