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

Systemtic Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-octyl-purine-2,6-dione Openeye Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 8-[(4-fluorophenyl)methylthio]-1,3-dimethyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-[(4-fluorobenzyl)thio]-1,3-dimethyl-7-octyl-xanthine Formula: C22H29FN4O2S MolecularWeight: 432.554663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H29FN4O2S/c1-4-5-6-7-8-9-14-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)30-15-16-10-12-17(23)13-11-16/h10-13H,4-9,14-15H2,1-3H3