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Substance Name: Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1)
RN: 104715-85-7
InChIKey: UHRBSLHSONYISD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H25-N5-O3.1/2H2-O

Molecular Weight

  • 760.8918
 
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Names and Synonyms

Synonyms

  • 2-((2-((4-Butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)ethanol hydrate (2:1)
  • 2-(p-n-Butylanilino)-6-methoxy-9-((2-hydroxyethoxy)methyl)purine hemihydrate

Systematic Name

  • Ethanol, 2-((2-((4-butylphenyl)amino)-6-methoxy-9H-purin-9-yl)methoxy)-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 104715-85-7

System Generated Number

  • 0104715857

Molecular Formulas

Molecular Formula

  • C19-H25-N5-O3.1/2H2-O

Molecular Formula Fragments

  • C19-H25-N5-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C19H25N5O3.H2O/c2*1-3-4-5-14-6-8-15(9-7-14)21-19-22-17-16(18(23-19)26-2)20-12-24(17)13-27-11-10-25;/h2*6-9,12,25H,3-5,10-11,13H2,1-2H3,(H,21,22,23);1H2

InChIKey

UHRBSLHSONYISD-UHFFFAOYSA-N

Smiles

CCCCc1ccc(cc1)Nc2nc3c(c(n2)OC)ncn3COCCO.CCCCc1ccc(cc1)Nc2nc3c(c(n2)OC)ncn3COCCO.O