6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[(2,6-difluorophenyl)methyl]-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-[(2,6-difluorophenyl)methyl]-2-(3-phenylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(2,6-difluorophenyl)methyl]-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-(2,6-difluorobenzyl)-2-(3-phenylpropylthio)-1H-pyrimidin-4-one Formula: C20H18F2N2OS MolecularWeight: 372.431526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NC(=O)C=C(N2)CC3=C(C=CC=C3F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NC(=O)C=C(N2)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C20H18F2N2OS/c21-17-9-4-10-18(22)16(17)12-15-13-19(25)24-20(23-15)26-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,13H,5,8,11-12H2,(H,23,24,25)