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Substance Name: Pseudourea, 2-((3,4-dihydro-3-(5-nitro-o-tolyl)-4-oxoquinazolin-2-yl)methyl)-2-thio-, monohydrobromide
RN: 61554-92-5
InChIKey: ORMWZXNJUYLVGZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N5-O3.Br-H

Molecular Weight

  • 450.3154
 
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Names and Synonyms

Synonym

  • S-(3-(5-Nitro-o-tolyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide

Systematic Name

  • Pseudourea, 2-((3,4-dihydro-3-(5-nitro-o-tolyl)-4-oxoquinazolin-2-yl)methyl)-2-thio-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 61554-92-5

System Generated Number

  • 0061554925

Molecular Formulas

Molecular Formula

  • C17-H15-N5-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H15-N5-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C17H15N5O3S.BrH/c1-10-6-7-11(22(24)25)8-14(10)21-15(9-26-17(18)19)20-13-5-3-2-4-12(13)16(21)23;/h2-8H,9H2,1H3,(H3,18,19);1H

InChIKey

ORMWZXNJUYLVGZ-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1n2c(nc3ccccc3c2=O)CSC(=N)N)[N+](=O)[O-].Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 379, 1977.