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Substance Name: Barbituric acid, 3-(1-(1-naphthyl)ethyl)-5-(m-nitrobenzylidene)-1-(p-nitrophenyl)-2-thio-
ID: CQ72900000
InChIKey: IBAVUMXVRXBRIF-YZSQISJMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H20-N4-O6-S

Molecular Weight

  • 552.565
 
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Names and Synonyms

Synonym

  • 3-(1-(1-Naphthyl)ethyl)-5-(m-nitrobenzylidene)-1-(p-nitrophenyl)-2-thiobarbituric acid

Systematic Name

  • Barbituric acid, 3-(1-(1-naphthyl)ethyl)-5-(m-nitrobenzylidene)-1-(p-nitrophenyl)-2-thio-

Registry Numbers

ID Number

  • NIOSH/CQ7290000

System Generated Number

  • CQ72900000

Structure Descriptors

InChI

1S/C29H20N4O6S/c1-18(24-11-5-8-20-7-2-3-10-25(20)24)30-27(34)26(17-19-6-4-9-23(16-19)33(38)39)28(35)31(29(30)40)21-12-14-22(15-13-21)32(36)37/h2-18H,1H3/b26-17+

InChIKey

IBAVUMXVRXBRIF-YZSQISJMSA-N

Smiles

CC(N1C(=O)\C(=C/c2cccc(c2)[N+](=O)[O-])\C(=O)N(C1=S)c3ccc(cc3)[N+](=O)[O-])c4cccc5ccccc45