5-(Methylsulfonyl)-3-pentofuranosyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
[CAS# 86480-37-7]

Identification

• Name: 5-(Methylsulfonyl)-3-pentofuranosyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
• Synonyms: 2-(7-Amino-5-methanesulfonyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol; NSC337235
• Molecular Formula: C₁₀H₁₄N₆O₆S
• Molecular Weight: 346.32
• CAS Registry Number: 86480-37-7
• SMILES: O=S(=O)(c1nc(c2nnn(c2n1)C3OC(C(O)C3O)CO)N)C
• InChI: 1S/C10H14N6O6S/c1-23(20,21)10-12-7(11)4-8(13-10)16(15-14-4)9-6(19)5(18)3(2-17)22-9/h3,5-6,9,17-19H,2H2,1H3,(H2,11,12,13)
• InChIKey: LDVSSMISRNGKLG-UHFFFAOYSA-N

Properties

• Density: 2.274g/cm³ (Cal.)
• Boiling point: 830.682°C at 760 mmHg (Cal.)
• Flash point: 456.18°C (Cal.)