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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2,5-dimethylbenzyl)-2-[(4-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C21H21FN2OS MolecularWeight: 368.467643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H21FN2OS/c1-13-4-5-14(2)17(10-13)11-19-15(3)23-21(24-20(19)25)26-12-16-6-8-18(22)9-7-16/h4-10H,11-12H2,1-3H3,(H,23,24,25)