N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(3-oxo-3-phenyl-1-propen-1-yl)thio]-1-buten-1-yl]-Formamide
[CAS# 26242-33-1]

Identification

• Name: N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(3-oxo-3-phenyl-1-propen-1-yl)thio]-1-buten-1-yl]-Formamide
• Synonyms: N-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-N-[(E)-4-Hydroxy-1-Methyl-2-[(E)-3-Oxo-3-Phenyl-Prop-1-Enyl]Sulfanyl-But-1-Enyl]Formamide; N-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-N-[(E)-4-Hydroxy-1-Methyl-2-[[(E)-3-Oxo-3-Phenylprop-1-Enyl]Thio]But-1-Enyl]Formamide; N-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-N-[(E)-4-Hydroxy-2-[[(E)-3-Keto-3-Phenyl-Prop-1-Enyl]Thio]-1-Methyl-But-1-Enyl]Formamide
• Molecular Formula: C₂₁H₂₄N₄O₃S
• Molecular Weight: 412.51
• CAS Registry Number: 26242-33-1
• SMILES: C1=NC(=NC(=C1CN(C(/C)=C(\CCO)S\C=C\C(=O)C2=CC=CC=C2)C=O)N)C
• InChI: 1S/C21H24N4O3S/c1-15(25(14-27)13-18-12-23-16(2)24-21(18)22)20(8-10-26)29-11-9-19(28)17-6-4-3-5-7-17/h3-7,9,11-12,14,26H,8,10,13H2,1-2H3,(H2,22,23,24)/b11-9+,20-15+
• InChIKey: IYLXFMHBICTCPI-KWKPKBFNSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 668.222°C at 760 mmHg (Cal.)
• Flash point: 357.928°C (Cal.)