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Substance Name: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-
RN: 121608-34-2
InChIKey: TWNDMJRBEQOBAA-JCMHNJIXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H20-Cl2-N4-O5-S

Molecular Weight

  • 583.45
 
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Names and Synonyms

Synonym

  • 1-(2,5-Dichlorophenyl)-3-(4-(morpholino)phenyl)-5-(m-nitrobenzylidene)thiobarbituric acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 121608-34-2

System Generated Number

  • 0121608342

Structure Descriptors

InChI

1S/C27H20Cl2N4O5S/c28-18-4-9-23(29)24(16-18)32-26(35)22(15-17-2-1-3-21(14-17)33(36)37)25(34)31(27(32)39)20-7-5-19(6-8-20)30-10-12-38-13-11-30/h1-9,14-16H,10-13H2/b22-15-

InChIKey

TWNDMJRBEQOBAA-JCMHNJIXSA-N

Smiles

c1cc(cc(c1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)N(C2=O)c3cc(ccc3Cl)Cl)c4ccc(cc4)N5CCOCC5

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.