9-[[2-(2-methylphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine

Systemtic Name: 9-[[2-(2-methylphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[[2-(o-tolyl)phenyl]methyl]purine CAS Name: 9-[[2-(2-methylphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[[2-(2-methylphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-[2-(o-tolyl)benzyl]purine Formula: C26H21N5O2S MolecularWeight: 467.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2CN3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2CN3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O2S/c1-18-6-2-4-8-22(18)23-9-5-3-7-20(23)14-30-17-29-24-25(30)27-16-28-26(24)34-15-19-10-12-21(13-11-19)31(32)33/h2-13,16-17H,14-15H2,1H3