8-Bromo-9-(2-deoxypentofuranosyl)-2-{(E)-[(dimethylamino)methylene]amino}-1,9-dihydro-6H-purin-6-one
[CAS# 717876-75-0]

Identification

• Name: 8-Bromo-9-(2-deoxypentofuranosyl)-2-{(E)-[(dimethylamino)methylene]amino}-1,9-dihydro-6H-purin-6-one
• Synonyms: 6H-Purin-6-one, 8-bromo-9-(2-deoxypentofuranosyl)-2-[[(1E)-(dimethylamino)methylene]amino]-1,9-dihydro-; 8-Bromo-9-(2-deoxypentofuranosyl)-2-{(E)-[(dimethylamino)methylene]amino}-1,9-dihydro-6H-purin-6-one
• Molecular Formula: C₁₃H₁₇BrN₆O₄
• Molecular Weight: 401.22
• CAS Registry Number: 717876-75-0
• SMILES: CN(C)/C=N/c1[nH]c(=O)c2c(n1)n(c(n2)Br)C3CC(C(O3)CO)O
• InChI: 1S/C13H17BrN6O4/c1-19(2)5-15-13-17-10-9(11(23)18-13)16-12(14)20(10)8-3-6(22)7(4-21)24-8/h5-8,21-22H,3-4H2,1-2H3,(H,17,18,23)/b15-5+
• InChIKey: ZSILXQZBZDBZNX-PJQLUOCWSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Refractive index: 1.776 (Cal.)