1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)but-3-en-2-yloxymethylphosphonic acid

Systemtic Name: 1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)but-3-en-2-yloxymethylphosphonic acid Openeye Name: 1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]allyloxymethylphosphonic acid CAS Name: 1-(4-amino-2-oxo-1-pyrimidinyl)but-3-en-2-yloxymethylphosphonic acid IUPAC Name: 1-(4-amino-2-oxopyrimidin-1-yl)but-3-en-2-yloxymethylphosphonic acid Traditional Name: 1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]allyloxymethylphosphonic acid Formula: C9H14N3O5P MolecularWeight: 275.198321

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CN1C=CC(=NC1=O)N)OCP(=O)(O)O

Isomeric SMILES

C=CC(CN1C=CC(=NC1=O)N)OCP(=O)(O)O

InChI

InChI=1S/C9H14N3O5P/c1-2-7(17-6-18(14,15)16)5-12-4-3-8(10)11-9(12)13/h2-4,7H,1,5-6H2,(H2,10,11,13)(H2,14,15,16)