8-[(E)-2-(3-fluorophenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-fluorophenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-fluorophenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-fluorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-fluorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-fluorophenyl)vinyl]-1,3,7-trimethyl-xanthine Formula: C16H15FN4O2 MolecularWeight: 314.314303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=CC=C3)F

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C16H15FN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+