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

Systemtic Name: 9-[[2-(2-fluorophenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[[2-(2-fluorophenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[[2-(2-fluorophenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[[2-(2-fluorophenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-[2-(2-fluorophenyl)benzyl]-6-[(4-nitrobenzyl)thio]purine Formula: C25H18FN5O2S MolecularWeight: 471.506123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5F

InChI

InChI=1S/C25H18FN5O2S/c26-22-8-4-3-7-21(22)20-6-2-1-5-18(20)13-30-16-29-23-24(30)27-15-28-25(23)34-14-17-9-11-19(12-10-17)31(32)33/h1-12,15-16H,13-14H2