[(E)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethenyl]phosphonic acid

Systemtic Name: [(E)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethenyl]phosphonic acid Openeye Name: [(E)-2-(4-amino-2-oxo-pyrimidin-1-yl)vinyl]phosphonic acid CAS Name: [(E)-2-(4-amino-2-oxo-1-pyrimidinyl)ethenyl]phosphonic acid IUPAC Name: [(E)-2-(4-amino-2-oxopyrimidin-1-yl)ethenyl]phosphonic acid Traditional Name: [(E)-2-(4-amino-2-keto-pyrimidin-1-yl)vinyl]phosphonic acid Formula: C6H8N3O4P MolecularWeight: 217.119181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C=CP(=O)(O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)/C=C/P(=O)(O)O

InChI

InChI=1S/C6H8N3O4P/c7-5-1-2-9(6(10)8-5)3-4-14(11,12)13/h1-4H,(H2,7,8,10)(H2,11,12,13)/b4-3+