2-[[2-[(氨基羰基)氨基]-4-[(2,6-二氟-4-吗啉基)氨基]苯基]偶氮]-5-(乙烯基磺酰基)苯磺酸钾钠盐(5:4:1)

Benzenesulfonic acid, 2-a[2-a[2-a[(aminocarbonyl)aamino]a-a4-a[(2,a6-adifluoro-a4-apyrimidinyl)aamino]aphenyl]adiazenyl]a-a5-a(ethenylsulfonyl)a-a, potassium sodium salt (5:4:1) · CAS 371921-59-4

中文名: 2-[[2-[(氨基羰基)氨基]-4-[(2,6-二氟-4-吗啉基)氨基]苯基]偶氮]-5-(乙烯基磺酰基)苯磺酸钾钠盐(5:4:1)
中文别名: 暂无
英文名: Benzenesulfonic acid, 2-a[2-a[2-a[(aminocarbonyl)aamino]a-a4-a[(2,a6-adifluoro-a4-apyrimidinyl)aamino]aphenyl]adiazenyl]a-a5-a(ethenylsulfonyl)a-a, potassium sodium salt (5:4:1)
CAS: 371921-59-4
CID: 165363280
IUPAC 名称: tetrapotassium;sodium;pentakis(2-[[2-(carbamoylamino)-4-[(2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]-5-ethenylsulfonylbenzenesulfonate)

名称与编号

中文名: 2-[[2-[(氨基羰基)氨基]-4-[(2,6-二氟-4-吗啉基)氨基]苯基]偶氮]-5-(乙烯基磺酰基)苯磺酸钾钠盐(5:4:1)
中文别名: 暂无
英文名: Benzenesulfonic acid, 2-a[2-a[2-a[(aminocarbonyl)aamino]a-a4-a[(2,a6-adifluoro-a4-apyrimidinyl)aamino]aphenyl]adiazenyl]a-a5-a(ethenylsulfonyl)a-a, potassium sodium salt (5:4:1)
CAS: 371921-59-4
CID: 165363280
IUPAC 名称: tetrapotassium;sodium;pentakis(2-[[2-(carbamoylamino)-4-[(2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]-5-ethenylsulfonylbenzenesulfonate)

分子属性

分子式: C95H70F10K4N35NaO30S10
分子量: 2871.8 g/mol
精确质量: 2870.0554744 Da
单同位素质量: 2869.0521195 Da
XLogP: 暂无
极性表面积: 1130 Å²
氢键供体: 15
氢键受体: 65
可旋转键: 35
重原子数: 185
净电荷: 0
结构复杂度: 1020

结构标识

InChIKey: SEBFGXDJBBIGAH-UHFFFAOYSA-I
SMILES: C=CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)NC3=CC(=NC(=N3)F)F)NC(=O)N)S(=O)(=O)[O-].C=CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)NC3=CC(=NC(=N3)F)F)NC(=O)N)S(=O)(=O)[O-].C=CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)NC3=CC(=NC(=N3)F)F)NC(=O)N)S(=O)(=O)[O-].C=CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)NC3=CC(=NC(=N3)F)F)NC(=O)N)S(=O)(=O)[O-].C=CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)NC3=CC(=NC(=N3)F)F)NC
InChI: InChI=1S/5C19H15F2N7O6S2.4K.Na/c5*1-2-35(30,31)11-4-6-13(15(8-11)36(32,33)34)28-27-12-5-3-10(7-14(12)24-19(22)29)23-17-9-16(20)25-18(21)26-17;;;;;/h5*2-9H,1H2,(H3,22,24,29)(H,23,25,26)(H,32,33,34);;;;;/q;;;;;5*+1/p-5