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Substance Name: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-5-((4-fluorophenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-thioxo-
RN: 121608-35-3
InChIKey: PEQKZZVDCMDEDQ-JCMHNJIXSA-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-(2,5-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 121608-35-3

System Generated Number

  • 0121608353

Structure Descriptors

InChI

1S/C27H20Cl2FN3O3S/c28-18-3-10-23(29)24(16-18)33-26(35)22(15-17-1-4-19(30)5-2-17)25(34)32(27(33)37)21-8-6-20(7-9-21)31-11-13-36-14-12-31/h1-10,15-16H,11-14H2/b22-15-

InChIKey

PEQKZZVDCMDEDQ-JCMHNJIXSA-N

Smiles

c1cc(ccc1/C=C\2/C(=O)N(C(=S)N(C2=O)c3cc(ccc3Cl)Cl)c4ccc(cc4)N5CCOCC5)F

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.