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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(4-nitrophenyl)methylthio]-5-phenyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(4-nitrobenzyl)thio]-5-phenyl-1H-pyrimidin-6-one Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H13N3O4S/c21-15-14(12-4-2-1-3-5-12)16(22)19-17(18-15)25-10-11-6-8-13(9-7-11)20(23)24/h1-9H,10H2,(H2,18,19,21,22)