5-nitro-4-oxidanyl-2-propylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-nitro-4-oxidanyl-2-propylsulfanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-propylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-nitro-2-(propylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-nitro-2-propylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-(propylthio)-1H-pyrimidin-6-one Formula: C7H9N3O4S MolecularWeight: 231.22906

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=O)N1)[N+](=O)[O-])O

Isomeric SMILES

CCCSC1=NC(=C(C(=O)N1)[N+](=O)[O-])O

InChI

InChI=1S/C7H9N3O4S/c1-2-3-15-7-8-5(11)4(10(13)14)6(12)9-7/h2-3H2,1H3,(H2,8,9,11,12)