5-ethyl-2-[[4-(4-fluorophenyl)carbonylphenyl]methylsulfanyl]-6-methoxy-3-methyl-pyrimidin-4-one

Systemtic Name: 5-ethyl-2-[[4-(4-fluorophenyl)carbonylphenyl]methylsulfanyl]-6-methoxy-3-methyl-pyrimidin-4-one Openeye Name: 5-ethyl-2-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]-6-methoxy-3-methyl-pyrimidin-4-one CAS Name: 5-ethyl-2-[[4-[(4-fluorophenyl)-oxomethyl]phenyl]methylthio]-6-methoxy-3-methyl-4-pyrimidinone IUPAC Name: 5-ethyl-2-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]-6-methoxy-3-methylpyrimidin-4-one Traditional Name: 5-ethyl-2-[[4-(4-fluorobenzoyl)benzyl]thio]-6-methoxy-3-methyl-pyrimidin-4-one Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)C)SCC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCC1=C(N=C(N(C1=O)C)SCC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H21FN2O3S/c1-4-18-20(28-3)24-22(25(2)21(18)27)29-13-14-5-7-15(8-6-14)19(26)16-9-11-17(23)12-10-16/h5-12H,4,13H2,1-3H3