S-(4-Nitrobenzyl)-6-thioinosine
CAS Registry Number®
38048-32-7
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CAS Name
S-(4-Nitrobenzyl)-6-thioinosineMolecular Formula
C17H17N5O6SMolecular Mass
419.41Cite this Page
S-(4-Nitrobenzyl)-6-thioinosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=38048-32-7 (retrieved ) (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 °CDensity (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
Deleted or Replaced CAS Registry Numbers
56964-68-2, 65177-80-2, 1294455-79-0
