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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)20-14(21-16)10-9-12-7-6-8-13(19)11(12)3/h6-10H,4-5H2,1-3H3,(H,20,21)/b10-9+