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

Systemtic Name: methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]propanoate Openeye Name: methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]propanoate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]propanoate Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]propionic acid methyl ester Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CC(C(=O)OC)N1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C20H19FN4O3S/c1-13(19(27)28-2)25-10-16(7-15-8-22-12-23-9-15)18(26)24-20(25)29-11-14-3-5-17(21)6-4-14/h3-6,8-10,12-13H,7,11H2,1-2H3