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

Systemtic Name: 1,3-diethyl-8-[(E)-1-fluoranyl-2-phenyl-ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-1-fluoro-2-phenyl-vinyl]-7H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-1-fluoro-2-phenylethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-1-fluoro-2-phenylethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-1-fluoro-2-phenyl-vinyl]-7H-purine-2,6-quinone Formula: C17H17FN4O2 MolecularWeight: 328.340883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O2/c1-3-21-15-13(16(23)22(4-2)17(21)24)19-14(20-15)12(18)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,19,20)/b12-10+