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

Systemtic Name: 9-[[2-(4-fluorophenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[[2-(4-fluorophenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[[2-(4-fluorophenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[[2-(4-fluorophenyl)phenyl]methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-[2-(4-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=C(C=C5)F

Isomeric SMILES

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

InChI

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