9-[[2-(3-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine

Systemtic Name: 9-[[2-(3-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[[2-(3-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[[2-(3-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[[2-(3-methoxyphenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-[2-(3-methoxyphenyl)benzyl]-6-[(4-nitrobenzyl)thio]purine Formula: C26H21N5O3S MolecularWeight: 483.54164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=CC=C2CN3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2CN3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

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