8-[(E)-2-(3-chloranyl-4-fluoranyl-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-chloranyl-4-fluoranyl-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-chloro-4-fluoro-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-chloro-4-fluoro-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-quinone Formula: C17H16ClFN4O2 MolecularWeight: 362.785943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN4O2/c1-3-22-15-14(16(24)23(4-2)17(22)25)20-13(21-15)8-6-10-5-7-12(19)11(18)9-10/h5-9H,3-4H2,1-2H3,(H,20,21)/b8-6+