1-[4-Amino-2-(Methylsulfanyl)-7-Pteridinyl]-3-Phenyl-1-Propanone
[CAS# 185628-24-4]

Identification

• Name: 1-[4-Amino-2-(Methylsulfanyl)-7-Pteridinyl]-3-Phenyl-1-Propanone
• Synonyms: BORON,(1H-BENZIMIDAZOLE-KN3)TRIFLUORO-, (T-4)-
• Molecular Formula: C₁₆H₁₅N₅OS
• Molecular Weight: 325.39
• CAS Registry Number: 185628-24-4
• SMILES: O=C(c1nc2nc(SC)nc(c2nc1)N)CCc3ccccc3
• InChI: 1S/C16H15N5OS/c1-23-16-20-14(17)13-15(21-16)19-11(9-18-13)12(22)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,17,19,20,21)
• InChIKey: DUKPFANCEZYHGR-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 590.977°C at 760 mmHg (Cal.)
• Flash point: 311.212°C (Cal.)
• Refractive index: 1.698 (Cal.)