5-nitro-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-nitro-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-nitro-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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