2-azanyl-5-nitro-6-(2-oxidanylpropylamino)-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-nitro-6-(2-oxidanylpropylamino)-1H-pyrimidin-4-one Openeye Name: 2-amino-6-(2-hydroxypropylamino)-5-nitro-1H-pyrimidin-4-one CAS Name: 2-amino-6-(2-hydroxypropylamino)-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-(2-hydroxypropylamino)-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-amino-6-(2-hydroxypropylamino)-5-nitro-1H-pyrimidin-4-one Formula: C7H11N5O4 MolecularWeight: 229.19334

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C(=O)N=C(N1)N)[N+](=O)[O-])O

Isomeric SMILES

CC(CNC1=C(C(=O)N=C(N1)N)[N+](=O)[O-])O

InChI

InChI=1S/C7H11N5O4/c1-3(13)2-9-5-4(12(15)16)6(14)11-7(8)10-5/h3,13H,2H2,1H3,(H4,8,9,10,11,14)