(4-fluorophenyl)methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethanoate

Systemtic Name: (4-fluorophenyl)methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethanoate Openeye Name: (4-fluorophenyl)methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]acetic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]acetate Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]acetic acid (4-fluorobenzyl) ester Formula: C25H20F2N4O3S MolecularWeight: 494.513106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)F

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)F

InChI

InChI=1S/C25H20F2N4O3S/c26-21-5-1-17(2-6-21)14-34-23(32)13-31-12-20(9-19-10-28-16-29-11-19)24(33)30-25(31)35-15-18-3-7-22(27)8-4-18/h1-8,10-12,16H,9,13-15H2