6-[(3-fluorophenyl)methylsulfanyl]-9-[(2R)-thiolan-2-yl]-7H-purin-9-ium

Systemtic Name: 6-[(3-fluorophenyl)methylsulfanyl]-9-[(2R)-thiolan-2-yl]-7H-purin-9-ium Openeye Name: 6-[(3-fluorophenyl)methylsulfanyl]-9-[(2R)-tetrahydrothiophen-2-yl]-7H-purin-9-ium CAS Name: 6-[(3-fluorophenyl)methylthio]-9-[(2R)-2-thiolanyl]-7H-purin-9-ium IUPAC Name: 6-[(3-fluorophenyl)methylsulfanyl]-9-[(2R)-thiolan-2-yl]-7H-purin-9-ium Traditional Name: 6-[(3-fluorobenzyl)thio]-9-[(2R)-tetrahydrothiophen-2-yl]-7H-purin-9-ium Formula: C16H16FN4S2+ MolecularWeight: 347.453443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)[N+]2=CNC3=C2N=CN=C3SCC4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](SC1)[N+]2=CNC3=C2N=CN=C3SCC4=CC(=CC=C4)F

InChI

InChI=1S/C16H15FN4S2/c17-12-4-1-3-11(7-12)8-23-16-14-15(18-9-19-16)21(10-20-14)13-5-2-6-22-13/h1,3-4,7,9-10,13H,2,5-6,8H2/p+1/t13-/m1/s1