O-Desbromo-pyrimidinyl O-[6-N-(N'-propyl)sulfamido-5-(4-bromophenyl)pyrimidin-4-yl] Macitentan

Analyte Name

O-Desbromo-pyrimidinyl O-[6-N-(N'-propyl)sulfamido-5-(4-bromophenyl)pyrimidin-4-yl] Macitentan

CAS Number

2089065-77-8

Molecular Formula

C₂₈H₃₂Br₂N₈O₆S₂

Molecular Weight

800.54

Accurate Mass

798.03

SMILES

O=S(NC1=NC=NC(OCCOC2=C(C3=CC=C(C=C3)Br)C(NS(=O)(NCCC)=O)=NC=N2)=C1C4=CC=C(C=C4)Br)(NCCC)=O

InChI

InChI=1S/C28H32Br2N8O6S2/c1-3-13-35-45(39,40)37-25-23(19-5-9-21(29)10-6-19)27(33-17-31-25)43-15-16-44-28-24(20-7-11-22(30)12-8-20)26(32-18-34-28)38-46(41,42)36-14-4-2/h5-12,17-18,35-36H,3-4,13-16H2,1-2H3,(H,31,33,37)(H,32,34,38)

IUPAC

N,N''-[1,2-Ethanediylbis[oxy[5-(4-bromophenyl)-6,4-pyrimidinediyl]]]bis[N'-propylsulfamide]

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat