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Substance Name: Ethanol, 2-((6-amino-2-((4-butylphenyl)amino)-9H-purin-9-yl)methoxy)-, hydrate (2:1)
RN: 104715-82-4
InChIKey: QZBODOAHANCWLC-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H24-N6-O2.1/2H2-O

Molecular Weight

  • 730.87
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104715-82-4

System Generated Number

  • 0104715824

Molecular Formulas

Molecular Formula

  • C18-H24-N6-O2.1/2H2-O

Molecular Formula Fragments

  • C18-H24-N6-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C18H24N6O2.H2O/c2*1-2-3-4-13-5-7-14(8-6-13)21-18-22-16(19)15-17(23-18)24(11-20-15)12-26-10-9-25;/h2*5-8,11,25H,2-4,9-10,12H2,1H3,(H3,19,21,22,23);1H2

InChIKey

QZBODOAHANCWLC-UHFFFAOYSA-N

Smiles

CCCCc1ccc(cc1)Nc2nc(c3c(n2)n(cn3)COCCO)N.CCCCc1ccc(cc1)Nc2nc(c3c(n2)n(cn3)COCCO)N.O