6-(5-Chloro-1,8-Naphthyridin-2-Yl)-2,3,6,7-Tetrahydro-7-Oxo-5H-1,4-Dithiino[2,3-c]Pyrrol-5-Yl 4-Methylpiperazine-1-Carboxylate
[CAS# 53788-22-0]

Identification

• Name: 6-(5-Chloro-1,8-Naphthyridin-2-Yl)-2,3,6,7-Tetrahydro-7-Oxo-5H-1,4-Dithiino[2,3-c]Pyrrol-5-Yl 4-Methylpiperazine-1-Carboxylate
• Synonyms: 4-Methyl-1-Piperazinecarboxylic Acid [6-(5-Chloro-1,8-Naphthyridin-2-Yl)-5-Oxo-3,7-Dihydro-2H-[1,4]Dithiino[2,3-C]Pyrrol-7-Yl] Ester; 4-Methylpiperazine-1-Carboxylic Acid [6-(5-Chloro-1,8-Naphthyridin-2-Yl)-5-Keto-3,7-Dihydro-2H-[1,4]Dithiino[2,3-C]Pyrrol-7-Yl] Ester; 6-(5-Chloro-1,8-Naphthyridin-2-Yl)-2,3,6,7-Tetrahydro-7-Oxo-5H-1,4-Dithiino(2,3-C)Pyrrol-5-Yl 4-Methylpiperazine-1-Carboxylate
• Molecular Formula: C₂₀H₂₀ClN₅O₃S₂
• Molecular Weight: 477.98
• CAS Registry Number: 53788-22-0
• EINECS: 258-778-4
• SMILES: C5=C(N3C(OC(=O)N1CCN(CC1)C)C2=C(SCCS2)C3=O)N=C4N=CC=C(Cl)C4=C5
• InChI: 1S/C20H20ClN5O3S2/c1-24-6-8-25(9-7-24)20(28)29-19-16-15(30-10-11-31-16)18(27)26(19)14-3-2-12-13(21)4-5-22-17(12)23-14/h2-5,19H,6-11H2,1H3
• InChIKey: OIAAFSAXPFVVDQ-UHFFFAOYSA-N

Properties

• Density: 1.591g/cm³ (Cal.)
• Boiling point: 644.464°C at 760 mmHg (Cal.)
• Flash point: 343.56°C (Cal.)