Molecule ID: 16004692

IUPAC Name: 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine

Description: The molecule is a member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orphan drug used for the treatment of pulmonary arterial hypertension. It has a role as an endothelin receptor antagonist, an antihypertensive agent and an orphan drug. It is an organobromine compound, a member of pyrimidines, an aromatic ether, a ring assembly and a member of sulfamides. It derives from an ethylene glycol and an ACT-132577.

SMILES: CCCNS(=O)(=O)N=c1nc[nH]c(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1

SELFIES: [C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][N][=C][NH1][C][Branch1][S][O][C][C][O][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring1][P][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: 3.7