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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-(4-fluorobenzyl)-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)CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)F

InChI

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