[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethoxy-phenyl-methyl]phosphonic acid

Systemtic Name: [2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethoxy-phenyl-methyl]phosphonic acid Openeye Name: [2-(4-amino-2-oxo-pyrimidin-1-yl)ethoxy-phenyl-methyl]phosphonic acid CAS Name: [2-(4-amino-2-oxo-1-pyrimidinyl)ethoxy-phenylmethyl]phosphonic acid IUPAC Name: [2-(4-amino-2-oxopyrimidin-1-yl)ethoxy-phenylmethyl]phosphonic acid Traditional Name: [2-(4-amino-2-keto-pyrimidin-1-yl)ethoxy-phenyl-methyl]phosphonic acid Formula: C13H16N3O5P MolecularWeight: 325.257001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(OCCN2C=CC(=NC2=O)N)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(OCCN2C=CC(=NC2=O)N)P(=O)(O)O

InChI

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