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Substance Name: (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-7-methyl-2-(3-(trifluoromethyl)phenyl)-
RN: 120354-32-7
InChIKey: NZFNXLJIZCCKSP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-F3-N2-O-S

Molecular Weight

  • 364.3895
 
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Names and Synonyms

Synonym

  • BRN 6002211

Systematic Name

  • (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-7-methyl-2-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 120354-32-7

System Generated Number

  • 0120354327

Structure Descriptors

InChI

1S/C18H15F3N2OS/c1-9-5-6-12-13(7-9)25-17-14(12)16(24)22-15(23-17)10-3-2-4-11(8-10)18(19,20)21/h2-4,8-9H,5-7H2,1H3,(H,22,23,24)

InChIKey

NZFNXLJIZCCKSP-UHFFFAOYSA-N

Smiles

CC1CCc2c(sc3c2c(=O)nc([nH]3)c4cccc(c4)C(F)(F)F)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 453, 1988.