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

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[[3-(trifluoromethyl)phenyl]methyl]purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[[3-(trifluoromethyl)phenyl]methyl]purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-[[3-(trifluoromethyl)phenyl]methyl]purine IUPAC Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[[3-(trifluoromethyl)phenyl]methyl]purine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-[3-(trifluoromethyl)benzyl]purine Formula: C20H14F3N5O2S MolecularWeight: 445.41767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14F3N5O2S/c21-20(22,23)15-3-1-2-14(8-15)9-27-12-26-17-18(27)24-11-25-19(17)31-10-13-4-6-16(7-5-13)28(29)30/h1-8,11-12H,9-10H2