1,3-diethyl-8-[(E)-1-fluoranyl-2-phenyl-ethenyl]-7-methyl-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[(E)-1-fluoranyl-2-phenyl-ethenyl]-7-methyl-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-1-fluoro-2-phenyl-vinyl]-7-methyl-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-1-fluoro-2-phenylethenyl]-7-methylpurine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-1-fluoro-2-phenylethenyl]-7-methylpurine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-1-fluoro-2-phenyl-vinyl]-7-methyl-xanthine Formula: C18H19FN4O2 MolecularWeight: 342.367463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C(=CC3=CC=CC=C3)F)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C(=C\C3=CC=CC=C3)/F)C

InChI

InChI=1S/C18H19FN4O2/c1-4-22-16-14(17(24)23(5-2)18(22)25)21(3)15(20-16)13(19)11-12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3/b13-11+