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Substance Name: Pyrimido(5,4-d)pyrimidin-4-amine, N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide
RN: 78552-37-1
InChIKey: VHUDRBVSGPPPMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N8-O-S

Molecular Weight

  • 438.5574
 
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Names and Synonyms

Synonym

  • 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78552-37-1

System Generated Number

  • 0078552371

Structure Descriptors

InChI

1S/C21H26N8OS/c30-31-12-10-28(11-13-31)20-18-17(26-21(27-20)29-8-6-22-7-9-29)19(25-15-24-18)23-14-16-4-2-1-3-5-16/h1-5,15,22H,6-14H2,(H,23,24,25)

InChIKey

VHUDRBVSGPPPMR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNc2c3c(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,