[(E)-3-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-4-oxidanyl-but-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-4-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-3-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-4-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-3-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-4-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-3-[(4-amino-2-oxopyrimidin-1-yl)methyl]-4-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-3-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-4-hydroxy-but-1-enyl]phosphonic acid Formula: C9H14N3O5P MolecularWeight: 275.198321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N3O5P/c10-8-1-3-12(9(14)11-8)5-7(6-13)2-4-18(15,16)17/h1-4,7,13H,5-6H2,(H2,10,11,14)(H2,15,16,17)/b4-2+