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1-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]butan-1-ol

1-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]butan-1-ol

Systemtic Name:1-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]butan-1-ol
Openeye Name:1-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]butan-1-ol
CAS Name:1-[6-[(4-nitrophenyl)methylthio]-9-purinyl]-1-butanol
IUPAC Name:1-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]butan-1-ol
Traditional Name:1-[6-[(4-nitrobenzyl)thio]purin-9-yl]butan-1-ol
Formula: C16H17N5O3S
MolecularWeight: 359.40288
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1C=NC2=C1N=CN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])O


Isomeric SMILES

CCCC(N1C=NC2=C1N=CN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])O


InChI

InChI=1S/C16H17N5O3S/c1-2-3-13(22)20-10-19-14-15(20)17-9-18-16(14)25-8-11-4-6-12(7-5-11)21(23)24/h4-7,9-10,13,22H,2-3,8H2,1H3


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