3-[2-(6-Aminopurin-9-Yl)Ethyl]-2-(Hydroxymethyl)-1,3-Thiazolidin-4-One
[CAS# 181507-39-1]

Identification

• Name: 3-[2-(6-Aminopurin-9-Yl)Ethyl]-2-(Hydroxymethyl)-1,3-Thiazolidin-4-One
• Synonyms: 3-[2-(6-Aminopurin-9-Yl)Ethyl]-2-(Hydroxymethyl)Thiazolidin-4-One; 3-[2-(6-Amino-9-Purinyl)Ethyl]-2-(Hydroxymethyl)-4-Thiazolidinone; 3-[2-(6-Aminopurin-9-Yl)Ethyl]-2-Methylol-Thiazolidin-4-One
• Molecular Formula: C₁₁H₁₄N₆O₂S
• Molecular Weight: 294.33
• CAS Registry Number: 181507-39-1
• SMILES: C1=NC3=C([N]1CCN2C(SCC2=O)CO)N=CN=C3N
• InChI: 1S/C11H14N6O2S/c12-10-9-11(14-5-13-10)16(6-15-9)1-2-17-7(19)4-20-8(17)3-18/h5-6,8,18H,1-4H2,(H2,12,13,14)
• InChIKey: VWTANYGZAGGZFH-UHFFFAOYSA-N

Properties

• Density: 1.775g/cm³ (Cal.)
• Boiling point: 676.751°C at 760 mmHg (Cal.)
• Flash point: 363.086°C (Cal.)