6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-thiophen-3-ylphenyl)methyl]purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-thiophen-3-ylphenyl)methyl]purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[[2-(3-thienyl)phenyl]methyl]purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-[[2-(3-thiophenyl)phenyl]methyl]purine IUPAC Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-thiophen-3-ylphenyl)methyl]purine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-[2-(3-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=CSC=C5

Isomeric SMILES

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

InChI

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