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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-fluorobenzyl)-4-hydroxy-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-one Formula: C18H14FN3O4S MolecularWeight: 387.384863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])O)F

Isomeric SMILES

C1=CC(=CC=C1CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])O)F

InChI

InChI=1S/C18H14FN3O4S/c19-13-5-1-11(2-6-13)9-15-16(23)20-18(21-17(15)24)27-10-12-3-7-14(8-4-12)22(25)26/h1-8H,9-10H2,(H2,20,21,23,24)