Ethyl [(Z)-2-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl-Formylamino]-5-Ethoxycarbonyloxypent-2-En-3-Yl]Sulfanylformate
[CAS# 137-76-8]

Identification

• Name: Ethyl [(Z)-2-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl-Formylamino]-5-Ethoxycarbonyloxypent-2-En-3-Yl]Sulfanylformate
• Synonyms: Ethyl [(Z)-2-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-1-(2-Ethoxycarbonyloxyethyl)Prop-1-Enyl]Sulfanylformate; [[(Z)-2-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl-Formylamino]-1-(2-Ethoxycarbonyloxyethyl)Prop-1-Enyl]Thio]Formic Acid Ethyl Ester; [[(Z)-2-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-1-(2-Carbethoxyoxyethyl)Prop-1-Enyl]Thio]Formic Acid Ethyl Ester
• Molecular Formula: C₁₈H₂₆N₄O₆S
• Molecular Weight: 426.49
• CAS Registry Number: 137-76-8
• SMILES: C1=C(CN(C(=C(SC(OCC)=O)/CCOC(OCC)=O)/C)C=O)C(=NC(=N1)C)N
• InChI: 1S/C18H26N4O6S/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21)/b15-12-
• InChIKey: YBROOZNJUDHTGE-QINSGFPZSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 610.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 322.8±34.3°C (Cal.)