(E)-N-[1-[5-(5-Dimethylamino-3,4-Dihydroxy-6-Methyloxan-2-Yl)Oxy-4-Hydroxy-6-Methyloxan-2-Yl]-2-Oxopyrimidin-4-Yl]-3-Methylsulfanylprop-2-Enamide
[CAS# 157878-02-9]

Identification

• Name: (E)-N-[1-[5-(5-Dimethylamino-3,4-Dihydroxy-6-Methyloxan-2-Yl)Oxy-4-Hydroxy-6-Methyloxan-2-Yl]-2-Oxopyrimidin-4-Yl]-3-Methylsulfanylprop-2-Enamide
• Synonyms: (E)-N-[1-[5-(5-Dimethylamino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-2-Oxo-Pyrimidin-4-Yl]-3-Methylsulfanyl-Prop-2-Enamide; (E)-N-[1-[5-[(5-Dimethylamino-3,4-Dihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]-2-Oxo-4-Pyrimidinyl]-3-(Methylthio)Prop-2-Enamide; (E)-N-[1-[5-(5-Dimethylamino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-2-Keto-Pyrimidin-4-Yl]-3-(Methylthio)Acrylamide
• Molecular Formula: C₂₂H₃₄N₄O₈S
• Molecular Weight: 514.59
• CAS Registry Number: 157878-02-9
• SMILES: CN(C3C(C(C(OC2C(CC(N1C=CC(=NC1=O)NC(\C=C\SC)=O)OC2C)O)OC3C)O)O)C
• InChI: 1S/C22H34N4O8S/c1-11-17(25(3)4)18(29)19(30)21(33-11)34-20-12(2)32-16(10-13(20)27)26-8-6-14(24-22(26)31)23-15(28)7-9-35-5/h6-9,11-13,16-21,27,29-30H,10H2,1-5H3,(H,23,24,28,31)/b9-7+
• InChIKey: OEIFFRHFKRNPAL-VQHVLOKHSA-N

Properties

• Density: 1.48g/cm³ (Cal.)