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Substance Name: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-
RN: 79838-93-0
InChIKey: PFGIDOYULQAYAI-LPYMAVHISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H20-F-N3-O4-S

Molecular Weight

  • 489.525
 
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Names and Synonyms

Synonym

  • BRN 4613403

Systematic Name

  • 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-

Registry Numbers

CAS Registry Number

  • 79838-93-0

System Generated Number

  • 0079838930

Structure Descriptors

InChI

1S/C26H20FN3O4S/c1-15-10-16(2)23(17(3)11-15)29-25(32)22(13-18-6-4-9-21(12-18)30(33)34)24(31)28(26(29)35)20-8-5-7-19(27)14-20/h4-14H,1-3H3/b22-13+

InChIKey

PFGIDOYULQAYAI-LPYMAVHISA-N

Smiles

Cc1cc(c(c(c1)C)N2C(=O)/C(=C/c3cccc(c3)[N+](=O)[O-])/C(=O)N(C2=S)c4cccc(c4)F)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 714, 1981.