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Substance Name: Pyrimido(5,4-d)pyrimidine, 8-(((2,4-dichlorophenyl)methyl)thio)-4-(4-morpholinyl)-2-(1-piperazinyl)-
RN: 77776-93-3
InChIKey: NCNOQHYSQOHLSU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl2-N7-O-S

Molecular Weight

  • 492.4327
 
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Names and Synonyms

Synonym

  • 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine

Systematic Name

  • Pyrimido(5,4-d)pyrimidine, 8-(((2,4-dichlorophenyl)methyl)thio)-4-(4-morpholinyl)-2-(1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 77776-93-3

System Generated Number

  • 0077776933

Structure Descriptors

InChI

1S/C21H23Cl2N7OS/c22-15-2-1-14(16(23)11-15)12-32-20-18-17(25-13-26-20)19(29-7-9-31-10-8-29)28-21(27-18)30-5-3-24-4-6-30/h1-2,11,13,24H,3-10,12H2

InChIKey

NCNOQHYSQOHLSU-UHFFFAOYSA-N

Smiles

c1cc(c(cc1Cl)Cl)CSc2c3c(c(nc(n3)N4CCNCC4)N5CCOCC5)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,