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Substance Name: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-(2-propenylthio)-, ethyl ester
RN: 126596-43-8
InChIKey: HEFIBZLYIRPTMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-N3-O3-S

Molecular Weight

  • 381.4541
 
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Names and Synonyms

Synonym

  • BRN 3568246

Systematic Name

  • Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-(2-propenylthio)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 126596-43-8

System Generated Number

  • 0126596438

Structure Descriptors

InChI

1S/C20H19N3O3S/c1-4-11-27-20-22-17-16(15(12-13(3)21-17)19(25)26-5-2)18(24)23(20)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3

InChIKey

HEFIBZLYIRPTMW-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc(nc2c1c(=O)n(c(n2)SCC=C)c3ccccc3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Farmaco. Vol. 45, Pg. 111, 1990.