8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[(4-fluorophenyl)methylthio]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(4-fluorobenzyl)thio]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C25H21FN4O2S MolecularWeight: 460.523243

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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)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21FN4O2S/c1-28-22-21(23(31)29(2)25(28)32)30(14-18-8-5-7-17-6-3-4-9-20(17)18)24(27-22)33-15-16-10-12-19(26)13-11-16/h3-13H,14-15H2,1-2H3