Trisodium 2-[(2Z)-2-[6-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-1-Oxo-3-Sulfonatonaphthalen-2-Ylidene]Hydrazinyl]Naphthalene-1,5-Disulfonate
[CAS# 72828-73-0]

Identification

• Name: Trisodium 2-[(2Z)-2-[6-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-1-Oxo-3-Sulfonatonaphthalen-2-Ylidene]Hydrazinyl]Naphthalene-1,5-Disulfonate
• Synonyms: Trisodium 2-[(N'z)-N'-[6-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,5-Disulfonate; Trisodium 2-[(N'z)-N'-[6-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,5-Disulfonate; Trisodium 2-[(N'z)-N'-[6-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,5-Disulfonate
• Molecular Formula: C₂₄H₁₁ClF₂N₅Na₃O₁₀S₃
• Molecular Weight: 767.98
• CAS Registry Number: 72828-73-0
• SMILES: C1=CC(=C([S]([O-])(=O)=O)C2=C1C(=CC=C2)[S]([O-])(=O)=O)N\N=C3/C(=CC4=C(C3=O)C=CC(=C4)NC5=C(Cl)C(=NC(=N5)F)F)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C24H14ClF2N5O10S3.3Na/c25-18-22(26)29-24(27)30-23(18)28-11-4-5-12-10(8-11)9-17(44(37,38)39)19(20(12)33)32-31-15-7-6-13-14(21(15)45(40,41)42)2-1-3-16(13)43(34,35)36;;;/h1-9,31H,(H,28,29,30)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b32-19+
• InChIKey: TYEWMTMUECRRAY-NPGWZDISSA-K