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

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-5-[(3-methoxyphenyl)methyl]-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-5-[(3-methoxyphenyl)methyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(3,4-difluorophenyl)methylthio]-5-[(3-methoxyphenyl)methyl]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-5-[(3-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[(3,4-difluorobenzyl)thio]-5-m-anisyl-3,6-dimethyl-pyrimidin-4-one Formula: C21H20F2N2O2S MolecularWeight: 402.457506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N2O2S/c1-13-17(10-14-5-4-6-16(9-14)27-3)20(26)25(2)21(24-13)28-12-15-7-8-18(22)19(23)11-15/h4-9,11H,10,12H2,1-3H3