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

Systemtic Name: 7-butyl-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[(2-fluorophenyl)methylthio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[(2-fluorobenzyl)thio]-1,3-dimethyl-xanthine Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H21FN4O2S/c1-4-5-10-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)26-11-12-8-6-7-9-13(12)19/h6-9H,4-5,10-11H2,1-3H3