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9-[(4-methylphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine

9-[(4-methylphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine

Systemtic Name:9-[(4-methylphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine
Openeye Name:6-[(4-nitrophenyl)methylsulfanyl]-9-(p-tolylmethyl)purine
CAS Name:9-[(4-methylphenyl)methyl]-6-[(4-nitrophenyl)methylthio]purine
IUPAC Name:9-[(4-methylphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine
Traditional Name:9-(4-methylbenzyl)-6-[(4-nitrobenzyl)thio]purine
Formula: C20H17N5O2S
MolecularWeight: 391.44628
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]


Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]


InChI

InChI=1S/C20H17N5O2S/c1-14-2-4-15(5-3-14)10-24-13-23-18-19(24)21-12-22-20(18)28-11-16-6-8-17(9-7-16)25(26)27/h2-9,12-13H,10-11H2,1H3


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