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

Systemtic Name: 8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[(2-fluorophenyl)methylthio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[(2-fluorobenzyl)thio]-1,3-dimethyl-7-propyl-xanthine Formula: C17H19FN4O2S MolecularWeight: 362.421763

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H19FN4O2S/c1-4-9-22-13-14(20(2)17(24)21(3)15(13)23)19-16(22)25-10-11-7-5-6-8-12(11)18/h5-8H,4,9-10H2,1-3H3