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Substance Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
RN: 122112-80-5
InChIKey: UMIYWYGYSNIOBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N5-O

Molecular Weight

  • 247.3003
 
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Names and Synonyms

Synonym

  • 2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-5,7-Dihydro-6H-pyrrolo(2,3-d)pyrimidin-6-one

Systematic Name

  • 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-

Registry Numbers

CAS Registry Number

  • 122112-80-5

System Generated Number

  • 0122112805

Structure Descriptors

InChI

1S/C12H17N5O/c1-16-10(18)7-9-8-14-12(15-11(9)16)17-5-2-3-13-4-6-17/h8,13H,2-7H2,1H3

InChIKey

UMIYWYGYSNIOBZ-UHFFFAOYSA-N

Smiles

CN1c2c(cnc(n2)N3CCCNCC3)CC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5304555,