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Substance Name: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-5-((4-fluorophenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-thioxo-
RN: 121608-40-0
InChIKey: PVKGHVIGOVZSAH-PGMHBOJBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H20-Cl2-F-N3-O3-S

Molecular Weight

  • 556.443
 
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Names and Synonyms

Synonym

  • 1-(2,6-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid

Systematic Name

  • 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-5-((4-fluorophenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-thioxo-

Registry Numbers

CAS Registry Number

  • 121608-40-0

System Generated Number

  • 0121608400

Structure Descriptors

InChI

1S/C27H20Cl2FN3O3S/c28-22-2-1-3-23(29)24(22)33-26(35)21(16-17-4-6-18(30)7-5-17)25(34)32(27(33)37)20-10-8-19(9-11-20)31-12-14-36-15-13-31/h1-11,16H,12-15H2/b21-16-

InChIKey

PVKGHVIGOVZSAH-PGMHBOJBSA-N

Smiles

c1cc(c(c(c1)Cl)N2C(=O)/C(=C\c3ccc(cc3)F)/C(=O)N(C2=S)c4ccc(cc4)N5CCOCC5)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Pharmacological Research Communications. Vol. 21, Pg. 59, 1989.