S-(4-Nitrobenzyl)-6-thioinosine

CAS Registry Number®

38048-32-7

CAS Name

S-(4-Nitrobenzyl)-6-thioinosine

Molecular Formula

C17H17N5O6S

Molecular Mass

419.41

Cite this Page

S-(4-Nitrobenzyl)-6-thioinosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38048-32-7 (retrieved 2024-11-22) (CAS RN: 38048-32-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197-198 °C

  • Density (2)

    1.49 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1

InChIKey

InChIKey=DYCJFJRCWPVDHY-LSCFUAHRSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(SCC4=CC=C(N(=O)=O)C=C4)N=CN3)O[C@H](CO)[C@H]1O

Canonical SMILES

O=N(=O)C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4OC(CO)C(O)C4O

Other Names for this Substance

  • Inosine, 6-S-[(4-nitrophenyl)methyl]-6-thio-
  • 6-S-[(4-Nitrophenyl)methyl]-6-thioinosine
  • 6-[(4-Nitrobenzyl)thio]-9-β-D-ribofuranosylpurine
  • S-(p-Nitrobenzyl)-6-mercapto-9-β-D-ribofuranosylpurine
  • S-(4-Nitrobenzyl)-6-thioinosine

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Deleted or Replaced CAS Registry Numbers

56964-68-2, 65177-80-2, 1294455-79-0