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Substance Name: Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide
RN: 78552-31-5
InChIKey: XQZMYQNZMUBCRQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N8-O-S

Molecular Weight

  • 452.5842
 
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Names and Synonyms

  • Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide

Registry Numbers

CAS Registry Number

  • 78552-31-5

System Generated Number

  • 0078552315

Structure Descriptors

InChI

1S/C22H28N8OS/c1-28(15-17-5-3-2-4-6-17)20-19-18(24-16-25-20)21(29-11-13-32(31)14-12-29)27-22(26-19)30-9-7-23-8-10-30/h2-6,16,23H,7-15H2,1H3

InChIKey

XQZMYQNZMUBCRQ-UHFFFAOYSA-N

Smiles

CN(Cc1ccccc1)c2c3c(c(nc(n3)N4CCNCC4)N5CCS(=O)CC5)ncn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 250mg/kg (250mg/kg)   United States Patent Document. Vol. #4690923,