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Substance Name: 1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-3,6-dimethyl-1-phenyl-
RN: 53681-37-1
InChIKey: SAFXMDZMRRWQJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O2

Molecular Weight

  • 311.3829
 
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Names and Synonyms

Synonyms

  • 5-Butyl-3,6-dimethyl-1-phenyl-1H-pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione
  • BRN 0693732

Systematic Name

  • 1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-3,6-dimethyl-1-phenyl-

Registry Numbers

CAS Registry Number

  • 53681-37-1

System Generated Number

  • 0053681371

Structure Descriptors

InChI

1S/C18H21N3O2/c1-4-5-11-14-12(2)19-16-15(14)17(22)20(3)18(23)21(16)13-9-7-6-8-10-13/h6-10,19H,4-5,11H2,1-3H3

InChIKey

SAFXMDZMRRWQJA-UHFFFAOYSA-N

Smiles

CCCCc1c([nH]c2c1c(=O)n(c(=O)n2c3ccccc3)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1600mg/kg (1600mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 1459, 1974.