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

Systemtic Name: 9-[[2-(2-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[[2-(2-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[[2-(2-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[[2-(2-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-[2-(2-methoxyphenyl)benzyl]-6-[(4-nitrobenzyl)thio]purine Formula: C26H21N5O3S MolecularWeight: 483.54164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC=CC=C2CN3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=CC=CC=C2CN3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O3S/c1-34-23-9-5-4-8-22(23)21-7-3-2-6-19(21)14-30-17-29-24-25(30)27-16-28-26(24)35-15-18-10-12-20(13-11-18)31(32)33/h2-13,16-17H,14-15H2,1H3