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Substance Name: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-
RN: 121608-39-7
InChIKey: INKDVSLUQZQXBL-PGMHBOJBSA-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-(2,6-Dichlorophenyl)-3-(4-(morpholino)phenyl)-5-(m-nitrobenzylidene)thiobarbituric acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 121608-39-7

System Generated Number

  • 0121608397

Structure Descriptors

InChI

1S/C27H20Cl2N4O5S/c28-22-5-2-6-23(29)24(22)32-26(35)21(16-17-3-1-4-20(15-17)33(36)37)25(34)31(27(32)39)19-9-7-18(8-10-19)30-11-13-38-14-12-30/h1-10,15-16H,11-14H2/b21-16-

InChIKey

INKDVSLUQZQXBL-PGMHBOJBSA-N

Smiles

c1cc(cc(c1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)N(C2=O)c3c(cccc3Cl)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.