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

Systemtic Name: 1,3-diethyl-8-[(E)-2-(3-fluoranyl-2-methyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-2-(3-fluoro-2-methyl-phenyl)vinyl]-7-methyl-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-2-(3-fluoro-2-methylphenyl)ethenyl]-7-methylpurine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-2-(3-fluoro-2-methylphenyl)ethenyl]-7-methylpurine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-2-(3-fluoro-2-methyl-phenyl)vinyl]-7-methyl-xanthine Formula: C19H21FN4O2 MolecularWeight: 356.394043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O2/c1-5-23-17-16(18(25)24(6-2)19(23)26)22(4)15(21-17)11-10-13-8-7-9-14(20)12(13)3/h7-11H,5-6H2,1-4H3/b11-10+