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Substance Name: Shi 437
RN: 121264-02-6
InChIKey: GZYRDLQDXVNZIO-UHFFFAOYSA-N

Molecular Formula

  • C21-H29-N5-O2.3Cl-H

Molecular Weight

  • 492.876
 
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Names and Synonyms

Name of Substance

  • Shi 437

Synonyms

  • 2-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)amino-5-acetyl-4,6-dimethylpyrimidine
  • Shi-437

Systematic Name

  • Ethanone, 1-(2-((2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)amino)-4,6-dimethyl-5-pyrimidinyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 121264-02-6

System Generated Number

  • 0121264026

Molecular Formulas

Molecular Formula

  • C21-H29-N5-O2.3Cl-H

Molecular Formula Fragments

  • C21-H29-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29N5O2.3ClH/c1-15-20(17(3)27)16(2)24-21(23-15)22-9-10-25-11-13-26(14-12-25)18-7-5-6-8-19(18)28-4;;;/h5-8H,9-14H2,1-4H3,(H,22,23,24);3*1H

InChIKey

GZYRDLQDXVNZIO-UHFFFAOYSA-N

Smiles

C(c1c(nc(nc1C)NCCN1CCN(CC1)c1c(cccc1)OC)C)(=O)C.Cl.Cl.Cl