2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]oxy-1-phenyl-ethanone

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]oxy-1-phenyl-ethanone Openeye Name: 2-[5-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]oxy-1-phenyl-ethanone CAS Name: 2-[[2-[(4-fluorophenyl)methylthio]-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]oxy]-1-phenylethanone IUPAC Name: 2-[5-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone Traditional Name: 2-[5-benzyl-2-[(4-fluorobenzyl)thio]-6-methyl-pyrimidin-4-yl]oxy-1-phenyl-ethanone Formula: C27H23FN2O2S MolecularWeight: 458.547123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)F)OCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)F)OCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H23FN2O2S/c1-19-24(16-20-8-4-2-5-9-20)26(32-17-25(31)22-10-6-3-7-11-22)30-27(29-19)33-18-21-12-14-23(28)15-13-21/h2-15H,16-18H2,1H3