5-nitro-4-oxidanyl-2-(1,2,4-triazol-4-ylamino)-1H-pyrimidin-6-one

Systemtic Name: 5-nitro-4-oxidanyl-2-(1,2,4-triazol-4-ylamino)-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-(1,2,4-triazol-4-ylamino)-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-nitro-2-(1,2,4-triazol-4-ylamino)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-nitro-2-(1,2,4-triazol-4-ylamino)-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-(1,2,4-triazol-4-ylamino)-1H-pyrimidin-6-one Formula: C6H5N7O4 MolecularWeight: 239.1484

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN=CN1NC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

C1=NN=CN1NC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C6H5N7O4/c14-4-3(13(16)17)5(15)10-6(9-4)11-12-1-7-8-2-12/h1-2H,(H3,9,10,11,14,15)