2-[(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]ethoxymethylphosphonic acid

Systemtic Name: 2-[(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]ethoxymethylphosphonic acid Openeye Name: 2-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]ethoxymethylphosphonic acid CAS Name: 2-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]ethoxymethylphosphonic acid IUPAC Name: 2-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]ethoxymethylphosphonic acid Traditional Name: 2-[(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)amino]ethoxymethylphosphonic acid Formula: C7H12N5O7P MolecularWeight: 309.173241

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Descriptors Computed from Structure

Canonical SMILES:

C(COCP(=O)(O)O)NC1=C(C(=O)N=C(N1)N)[N+](=O)[O-]

Isomeric SMILES

C(COCP(=O)(O)O)NC1=C(C(=O)N=C(N1)N)[N+](=O)[O-]

InChI

InChI=1S/C7H12N5O7P/c8-7-10-5(4(12(14)15)6(13)11-7)9-1-2-19-3-20(16,17)18/h1-3H2,(H2,16,17,18)(H4,8,9,10,11,13)