S-[3-Acetoxy-1-[1-[[(4-Amino-2-Methyl-5-Pyrimidyl)Methyl]Formamido]Ethylidene]Propyl] Thioacetate Monohydrochloride
[CAS# 28008-04-0]

Identification

• Name: S-[3-Acetoxy-1-[1-[[(4-Amino-2-Methyl-5-Pyrimidyl)Methyl]Formamido]Ethylidene]Propyl] Thioacetate Monohydrochloride
• Synonyms: [(Z)-3-Acetylsulfanyl-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]Pent-3-Enyl] Acetate Hydrochloride; Acetic Acid [(Z)-3-(Acetylthio)-4-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl-Formylamino]Pent-3-Enyl] Ester Hydrochloride; Acetic Acid [(Z)-3-(Acetylthio)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]Pent-3-Enyl] Ester Hydrochloride
• Molecular Formula: C₁₆H₂₃ClN₄O₄S
• Molecular Weight: 402.90
• CAS Registry Number: 28008-04-0
• EINECS: 248-774-0
• SMILES: [H+].C1=C(CN(C(=C(SC(=O)C)/CCOC(=O)C)/C)C=O)C(=NC(=N1)C)N.[Cl-]
• InChI: 1S/C16H22N4O4S.ClH/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17;/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19);1H/b15-10-
• InChIKey: GVYHWIVMQYPBOQ-AZJSCORLSA-N

Properties

• Boiling point: 595.3°C at 760 mmHg (Cal.)
• Flash point: 313.8°C (Cal.)