1,3-Benzenedisulfonic acid, 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]-, sodium salt

83763-54-6

CAS Name

1,3-Benzenedisulfonic acid, 4-[2-[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-, sodium salt (1:?)

Molecular Formula

C₁₇H₁₂ClF₂N₇O₇S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C17H12ClF2N7O7S2.Na/c18-13-14(19)24-16(20)25-15(13)22-7-1-3-9(11(5-7)23-17(21)28)26-27-10-4-2-8(35(29,30)31)6-12(10)36(32,33)34;/h1-6H,(H3,21,23,28)(H,22,24,25)(H,29,30,31)(H,32,33,34);

InChIKey

InChIKey=JUOJAPFBHRHWJR-UHFFFAOYSA-N

SMILES

N(=NC1=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C=C1)C2=C(NC(N)=O)C=C(NC=3C(Cl)=C(F)N=C(F)N3)C=C2.[Na]

Canonical SMILES

[Na].O=C(N)NC1=CC(=CC=C1N=NC2=CC=C(C=C2S(=O)(=O)O)S(=O)(=O)O)NC=3N=C(F)N=C(F)C3Cl

Other Names for this Substance