N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H20FN3O4S/c1-28-17-8-7-15(9-18(17)29-2)23-19(26)10-16-11-20(27)25-21(24-16)30-12-13-3-5-14(22)6-4-13/h3-9,11H,10,12H2,1-2H3,(H,23,26)(H,24,25,27)