2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-4-hydroxy-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-fluorobenzyl)thio]-4-hydroxy-5-(2,4,6-trimethylbenzyl)-1H-pyrimidin-6-one Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)F)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)F)O)C

InChI

InChI=1S/C21H21FN2O2S/c1-12-8-13(2)17(14(3)9-12)10-18-19(25)23-21(24-20(18)26)27-11-15-4-6-16(22)7-5-15/h4-9H,10-11H2,1-3H3,(H2,23,24,25,26)