2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(3-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-6-one Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=CC(=O)N2)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C11H9N3O4S/c15-9-5-10(16)13-11(12-9)19-6-7-2-1-3-8(4-7)14(17)18/h1-5H,6H2,(H2,12,13,15,16)