(E)-3-[4-[1,3-bis[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1,3-bis[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1,3-bis[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1,3-bis[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1,3-bis[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[1,3-bis(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]phenyl]acrylic acid Formula: C28H20F2N4O4 MolecularWeight: 514.479606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)NC(=N3)C5=CC=C(C=C5)C=CC(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)NC(=N3)C5=CC=C(C=C5)/C=C/C(=O)O)F

InChI

InChI=1S/C28H20F2N4O4/c29-21-7-3-1-5-19(21)15-33-26-24(27(37)34(28(33)38)16-20-6-2-4-8-22(20)30)31-25(32-26)18-12-9-17(10-13-18)11-14-23(35)36/h1-14H,15-16H2,(H,31,32)(H,35,36)/b14-11+