N-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-N-[2-[(2-Benzoylvinyl)Thio]-4-Hydroxy-1-Methyl-1-Butenyl]Formamide
[CAS# 7631-61-0]

Identification

• Name: N-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-N-[2-[(2-Benzoylvinyl)Thio]-4-Hydroxy-1-Methyl-1-Butenyl]Formamide
• Synonyms: N-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-N-[(Z)-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-[(Z)-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-[(Z)-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: 7631-61-0
• SMILES: C2=C(CN(C(=C(S\C=C\C(C1=CC=CC=C1)=O)/CCO)/C)C=O)C(=NC(=N2)C)N
• 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-DVGBGDLNSA-N

Properties

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