2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-4-one Formula: C20H18ClFN2OS MolecularWeight: 388.886123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C20H18ClFN2OS/c1-12-6-8-14(9-7-12)10-15-13(2)23-20(24-19(15)25)26-11-16-17(21)4-3-5-18(16)22/h3-9H,10-11H2,1-2H3,(H,23,24,25)