2-[2-Amino-6-[(4-Chlorophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 93408-07-2]

Identification

• Name: 2-[2-Amino-6-[(4-Chlorophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: 2-[2-Amino-6-[(4-Chlorophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-[(4-Chlorophenyl)Methylthio]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-[(4-Chlorobenzyl)Thio]Purin-9-Yl]-5-Methylol-Tet
• Molecular Formula: C₁₇H₁₈ClN₅O₄S
• Molecular Weight: 423.87
• CAS Registry Number: 93408-07-2
• SMILES: C1=CC(=CC=C1Cl)CSC2=NC(=NC3=C2N=C[N]3C4C(O)C(O)C(O4)CO)N
• InChI: 1S/C17H18ClN5O4S/c18-9-3-1-8(2-4-9)6-28-15-11-14(21-17(19)22-15)23(7-20-11)16-13(26)12(25)10(5-24)27-16/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,19,21,22)
• InChIKey: XQGREBVLUUSQLF-UHFFFAOYSA-N

Properties

• Density: 1.796g/cm³ (Cal.)
• Boiling point: 794.085°C at 760 mmHg (Cal.)
• Flash point: 434.047°C (Cal.)