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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3,6-dimethyl-5-p-anisyl-pyrimidin-4-one Formula: C21H20ClFN2O2S MolecularWeight: 418.912103

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O2S/c1-13-16(11-14-7-9-15(27-3)10-8-14)20(26)25(2)21(24-13)28-12-17-18(22)5-4-6-19(17)23/h4-10H,11-12H2,1-3H3