8-[(4-fluorophenyl)methylsulfanyl]-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(4-fluorophenyl)methylsulfanyl]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(4-fluorophenyl)methylsulfanyl]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[(4-fluorophenyl)methylthio]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(4-fluorophenyl)methylsulfanyl]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[(4-fluorobenzyl)thio]-7-hexyl-3-methyl-xanthine Formula: C19H23FN4O2S MolecularWeight: 390.474923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23FN4O2S/c1-3-4-5-6-11-24-15-16(23(2)18(26)22-17(15)25)21-19(24)27-12-13-7-9-14(20)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,22,25,26)