5,6-Dichloro-2-[2-[(1,3-Diethylhexahydro-4,6-Dioxo-2-Thioxopyrimidin)-5-Ylidene]Ethylidene]-3-Ethyl-2,3-Dihydro-1H-Benzimidazole-1-(1-Butanesulfonic Acid)
[CAS# 71130-53-5]

Identification

• Name: 5,6-Dichloro-2-[2-[(1,3-Diethylhexahydro-4,6-Dioxo-2-Thioxopyrimidin)-5-Ylidene]Ethylidene]-3-Ethyl-2,3-Dihydro-1H-Benzimidazole-1-(1-Butanesulfonic Acid)
• Synonyms: 4-[(2Z)-5,6-Dichloro-2-[2-(1,3-Diethyl-4,6-Dioxo-2-Thioxo-Hexahydropyrimidin-5-Ylidene)Ethylidene]-3-Ethyl-Benzimidazol-1-Yl]Butane-1-Sulfonic Acid; 4-[(2Z)-5,6-Dichloro-2-[2-(1,3-Diethyl-4,6-Dioxo-2-Thioxo-5-Hexahydropyrimidinylidene)Ethylidene]-3-Ethyl-1-Benzimidazolyl]Butane-1-Sulfonic Acid; 4-[(2Z)-5,6-Dichloro-2-[2-(1,3-Diethyl-4,6-Diketo-2-Thioxo-Hexahydropyrimidin-5-Ylidene)Ethylidene]-3-Ethyl-Benzimidazol-1-Yl]Butane-1-Sulfonic Acid
• Molecular Formula: C₂₃H₂₈Cl₂N₄O₅S₂
• Molecular Weight: 575.52
• CAS Registry Number: 71130-53-5
• SMILES: C2=C1N(\C(N(C1=CC(=C2Cl)Cl)CC)=C/C=C3C(=O)N(C(=S)N(C3=O)CC)CC)CCCC[S](=O)(=O)O
• InChI: 1S/C23H28Cl2N4O5S2/c1-4-26-18-13-16(24)17(25)14-19(18)29(11-7-8-12-36(32,33)34)20(26)10-9-15-21(30)27(5-2)23(35)28(6-3)22(15)31/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,32,33,34)/b20-10-
• InChIKey: KHDKWJBBMBVSON-JMIUGGIZSA-N

Properties

• Density: 1.522g/cm³ (Cal.)