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

Systemtic Name: 9-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-(2-fluorobenzyl)-6-[(4-nitrobenzyl)thio]purine Formula: C19H14FN5O2S MolecularWeight: 395.410163

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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-])F

Isomeric SMILES

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

InChI

InChI=1S/C19H14FN5O2S/c20-16-4-2-1-3-14(16)9-24-12-23-17-18(24)21-11-22-19(17)28-10-13-5-7-15(8-6-13)25(26)27/h1-8,11-12H,9-10H2