[(Z)-4-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl-Formylamino]-3-(Benzoylsulfanyl)Pent-3-Enyl] Benzoate
[CAS# 299-88-7]

Identification

• Name: [(Z)-4-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl-Formylamino]-3-(Benzoylsulfanyl)Pent-3-Enyl] Benzoate
• Synonyms: [(Z)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-(Benzoylsulfanyl)Pent-3-Enyl] Benzoate; Benzoic Acid [(Z)-4-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl-Formylamino]-3-[(Oxo-Phenylmethyl)Thio]Pent-3-Enyl] Ester; Benzoic Acid [(Z)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-(Benzoylthio)Pent-3-Enyl] Ester
• Molecular Formula: C₂₆H₂₆N₄O₄S
• Molecular Weight: 490.58
• CAS Registry Number: 299-88-7
• EINECS: 206-084-7
• SMILES: C3=C(C(SC(/CCOC(C1=CC=CC=C1)=O)=C(N(CC2=C(N=C(N=C2)C)N)C=O)/C)=O)C=CC=C3
• InChI: 1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-
• InChIKey: AZJUFRDUYTYIHV-NKFKGCMQSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Melting point: 173°C (Expl.)
• Boiling point: 718.186°C at 760 mmHg (Cal.)
• Flash point: 388.145°C (Cal.)