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Substance Name: 6H-Purine-6-thione, 2-((4-butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, hydrate
RN: 104715-75-5
InChIKey: LEFLCVXUDVFJEO-CLUYDPBTSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H25-N5-O3-S.H2-O

Molecular Weight

  • 433.5303
 
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Names and Synonyms

Synonyms

  • 2-((4-Butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6H-purine-6-thione hydrate
  • 2-(p-n-Butylanilino)-6-thioxo-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate

Systematic Name

  • 6H-Purine-6-thione, 2-((4-butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 104715-75-5

System Generated Number

  • 0104715755

Molecular Formulas

Molecular Formula

  • C20-H25-N5-O3-S.H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C20H25N5O3S.H2O/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(29)24-20)21-11-25(18)16-9-14(27)15(10-26)28-16;/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,29);1H2/t14-,15+,16-;/m0./s1

InChIKey

LEFLCVXUDVFJEO-CLUYDPBTSA-N

Smiles

CCCCc1ccc(cc1)Nc2[nH]c(=S)c3c(n2)n(cn3)[C@@H]4C[C@@H]([C@H](O4)CO)O.O