2-[(4-fluorophenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-[(4-methoxy-3-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-4-hydroxy-5-[(4-methoxy-3-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-[(4-methoxy-3-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-fluorobenzyl)thio]-4-hydroxy-5-(4-methoxy-3-nitro-benzyl)-1H-pyrimidin-6-one Formula: C19H16FN3O5S MolecularWeight: 417.410843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)F)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)F)O)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O5S/c1-28-16-7-4-12(9-15(16)23(26)27)8-14-17(24)21-19(22-18(14)25)29-10-11-2-5-13(20)6-3-11/h2-7,9H,8,10H2,1H3,(H2,21,22,24,25)