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Substance Name: 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-
RN: 63731-94-2
InChIKey: DMTMAAJIOCWLSH-UHFFFAOYSA-N

Molecular Formula

  • C12-H10-N4-O

Molecular Weight

  • 226.238
 
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Names and Synonyms

Synonym

  • 3-Benzyl-6-imino-2-oxo-1,2,3,6-tetrahydro-5-pyrimidinecarbonitrile

Systematic Name

  • 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-

Registry Numbers

CAS Registry Number

  • 63731-94-2

System Generated Number

  • 0063731942

Structure Descriptors

InChI

1S/C12H10N4O/c13-7-9-3-1-2-4-10(9)8-16-6-5-11(14)15-12(16)17/h1-6H,8H2,(H2,14,15,17)

InChIKey

DMTMAAJIOCWLSH-UHFFFAOYSA-N

Smiles

n1c(n(Cc2c(C#N)cccc2)ccc1=N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 125mg/kg (125mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 9, Pg. 346, 1957.