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

Systemtic Name: 2-butylsulfanyl-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-butylsulfanyl-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-(butylthio)-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-butylsulfanyl-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-(butylthio)-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=O)N1)[N+](=O)[O-])O

Isomeric SMILES

CCCCSC1=NC(=C(C(=O)N1)[N+](=O)[O-])O

InChI

InChI=1S/C8H11N3O4S/c1-2-3-4-16-8-9-6(12)5(11(14)15)7(13)10-8/h2-4H2,1H3,(H2,9,10,12,13)