6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-thiophen-2-ylphenyl)methyl]purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-thiophen-2-ylphenyl)methyl]purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[[2-(2-thienyl)phenyl]methyl]purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-[(2-thiophen-2-ylphenyl)methyl]purine IUPAC Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-thiophen-2-ylphenyl)methyl]purine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-[2-(2-thienyl)benzyl]purine Formula: C23H17N5O2S2 MolecularWeight: 459.54338

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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=CS5

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C23H17N5O2S2/c29-28(30)18-9-7-16(8-10-18)13-32-23-21-22(24-14-25-23)27(15-26-21)12-17-4-1-2-5-19(17)20-6-3-11-31-20/h1-11,14-15H,12-13H2