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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[(2-chloro-6-fluoro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C19H16ClFN2OS MolecularWeight: 374.859543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC=C2Cl)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC=C2Cl)F)CC3=CC=CC=C3

InChI

InChI=1S/C19H16ClFN2OS/c1-12-14(10-13-6-3-2-4-7-13)18(24)23-19(22-12)25-11-15-16(20)8-5-9-17(15)21/h2-9H,10-11H2,1H3,(H,22,23,24)