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Substance Name: 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-
RN: 125802-57-5
InChIKey: WLTFBUVJMBYUCR-UHFFFAOYSA-N

Molecular Formula

  • C22-H22-Cl-N5-O

Molecular Weight

  • 407.9028
 
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Names and Synonyms

  • 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 125802-57-5

System Generated Number

  • 0125802575

Structure Descriptors

InChI

1S/C22H22ClN5O/c1-2-3-12-29-18-11-7-10-17(13-18)25-20-19-21(27-22(23)26-20)28(15-24-19)14-16-8-5-4-6-9-16/h4-11,13,15H,2-3,12,14H2,1H3,(H,25,26,27)

InChIKey

WLTFBUVJMBYUCR-UHFFFAOYSA-N

Smiles

CCCCOc1cccc(Nc2nc(Cl)nc3c2ncn3Cc4ccccc4)c1