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Substance Name: 9H-Purine, 2-((4-butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, hydrate
RN: 104715-74-4
InChIKey: IWCUOXHWGGVFSB-RXQQAGQTSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H25-N5-O3.H2-O

Molecular Weight

  • 401.464
 
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Names and Synonyms

Synonyms

  • 2-((4-Butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purine hydrate
  • 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate

Systematic Name

  • 9H-Purine, 2-((4-butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 104715-74-4

System Generated Number

  • 0104715744

Molecular Formulas

Molecular Formula

  • C20-H25-N5-O3.H2-O

Molecular Formula Fragments

  • C20-H25-N5-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H25N5O3.H2O/c1-2-3-4-13-5-7-14(8-6-13)23-20-21-10-15-19(24-20)25(12-22-15)18-9-16(27)17(11-26)28-18;/h5-8,10,12,16-18,26-27H,2-4,9,11H2,1H3,(H,21,23,24);1H2/t16-,17+,18-;/m0./s1

InChIKey

IWCUOXHWGGVFSB-RXQQAGQTSA-N

Smiles

n1c2cnc(nc2n(c1)[C@@H]1C[C@H](O)[C@H](O1)CO)Nc1ccc(cc1)CCCC.O