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Substance Name: 2-Anthracenesulfonic acid, 1-amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-
RN: 68413-53-6
InChIKey: JMKBMSGQZSPJOC-UHFFFAOYSA-N

Molecular Formula

  • C26-H18-Cl-F2-N5-O8-S2

Molecular Weight

  • 666.036
 
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Names and Synonyms

Synonyms

  • 1-Amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
  • EINECS 270-225-9

Systematic Names

  • 1-Amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
  • 2-Anthracenesulfonic acid, 1-amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-

Registry Numbers

CAS Registry Number

  • 68413-53-6

System Generated Number

  • 0068413536

Structure Descriptors

InChI

1S/C26H18ClF2N5O8S2/c1-10-6-11(9-31-25-19(27)24(28)33-26(29)34-25)21(16(7-10)44(40,41)42)32-14-8-15(43(37,38)39)20(30)18-17(14)22(35)12-4-2-3-5-13(12)23(18)36/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42)

InChIKey

JMKBMSGQZSPJOC-UHFFFAOYSA-N

Smiles

O=C1c2c(C(=O)c3c(N)c(S(=O)(=O)O)cc(Nc4c(cc(cc4S(=O)(=O)O)C)CNc4nc(F)nc(F)c4Cl)c13)cccc2