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Substance Name: Phenol, 3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, propanoate (ester)
RN: 125802-60-0
InChIKey: LLOOKIGRINYNMN-UHFFFAOYSA-N

Molecular Formula

  • C21-H18-Cl-N5-O2

Molecular Weight

  • 407.8592
 
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Names and Synonyms

  • Phenol, 3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, propanoate (ester)

Registry Numbers

CAS Registry Number

  • 125802-60-0

System Generated Number

  • 0125802600

Structure Descriptors

InChI

1S/C21H18ClN5O2/c1-2-17(28)29-16-10-6-9-15(11-16)24-19-18-20(26-21(22)25-19)27(13-23-18)12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H,24,25,26)

InChIKey

LLOOKIGRINYNMN-UHFFFAOYSA-N

Smiles

CCC(=O)Oc1cccc(Nc2nc(Cl)nc3c2ncn3Cc4ccccc4)c1