2-(4-azanyl-2-oxidanylidene-5-phenyl-pyrimidin-1-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(4-azanyl-2-oxidanylidene-5-phenyl-pyrimidin-1-yl)ethoxymethylphosphonic acid Openeye Name: 2-(4-amino-2-oxo-5-phenyl-pyrimidin-1-yl)ethoxymethylphosphonic acid CAS Name: 2-(4-amino-2-oxo-5-phenyl-1-pyrimidinyl)ethoxymethylphosphonic acid IUPAC Name: 2-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)ethoxymethylphosphonic acid Traditional Name: 2-(4-amino-2-keto-5-phenyl-pyrimidin-1-yl)ethoxymethylphosphonic acid Formula: C13H16N3O5P MolecularWeight: 325.257001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=O)N=C2N)CCOCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=O)N=C2N)CCOCP(=O)(O)O

InChI

InChI=1S/C13H16N3O5P/c14-12-11(10-4-2-1-3-5-10)8-16(13(17)15-12)6-7-21-9-22(18,19)20/h1-5,8H,6-7,9H2,(H2,14,15,17)(H2,18,19,20)