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Substance Name: Benzonitrile, 4-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)imino)methyl)-
RN: 136541-58-7
InChIKey: HWXDWKPPORVVGK-CVKSISIWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H20-N4-S2

Molecular Weight

  • 428.582
 
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Names and Synonyms

Synonym

  • BRN 4337229

Systematic Name

  • Benzonitrile, 4-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)imino)methyl)-

Registry Numbers

CAS Registry Number

  • 136541-58-7

System Generated Number

  • 0136541587

Structure Descriptors

InChI

1S/C24H20N4S2/c25-14-16-10-12-17(13-11-16)15-26-28-22(18-6-2-1-3-7-18)21-19-8-4-5-9-20(19)30-23(21)27-24(28)29/h1-3,6-7,10-13,15,22H,4-5,8-9H2,(H,27,29)/b26-15+

InChIKey

HWXDWKPPORVVGK-CVKSISIWSA-N

Smiles

c1ccc(cc1)C2c3c4c(sc3NC(=S)N2/N=C/c5ccc(cc5)C#N)CCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 323, 1991.