8-[(4-fluorophenyl)methylsulfanyl]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-[(4-fluorophenyl)methylthio]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-[(4-fluorobenzyl)thio]-1,3,7-trimethyl-9H-purin-7-ium-2,6-quinone Formula: C15H16FN4O2S+ MolecularWeight: 335.376543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C15H15FN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3/p+1