2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3,6-dimethyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 5-benzyl-2-[(2-chloro-6-fluoro-benzyl)thio]-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=C(C=CC=C2Cl)F)C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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