5-[(4-ethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-ethoxybenzyl)-2-[(4-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H21FN2O2S/c1-3-26-18-10-6-15(7-11-18)12-19-14(2)23-21(24-20(19)25)27-13-16-4-8-17(22)9-5-16/h4-11H,3,12-13H2,1-2H3,(H,23,24,25)