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Substance Name: Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester
RN: 125802-50-8
InChIKey: KBHQTWWVUNNEJW-UHFFFAOYSA-N

Molecular Formula

  • C21-H18-Cl-N5-O2

Molecular Weight

  • 407.8592
 
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Names and Synonyms

  • Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 125802-50-8

System Generated Number

  • 0125802508

Structure Descriptors

InChI

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

InChIKey

KBHQTWWVUNNEJW-UHFFFAOYSA-N

Smiles

CCOC(=O)c1ccc(Nc2nc(Cl)nc3c2ncn3Cc4ccccc4)cc1