2-[(4-chlorophenyl)methylsulfanyl]-5-[(3-fluorophenyl)methyl]-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(3-fluorophenyl)methyl]-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(3-fluorophenyl)methyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-[(3-fluorophenyl)methyl]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(3-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5-(3-fluorobenzyl)-3,6-dimethyl-pyrimidin-4-one Formula: C20H18ClFN2OS MolecularWeight: 388.886123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)Cl)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)Cl)C)CC3=CC(=CC=C3)F

InChI

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