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

Systemtic Name: [(E)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-4-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-4-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-4-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-4-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-but-1-enyl]phosphonic acid Formula: C8H12N3O5P MolecularWeight: 261.171741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N3O5P/c9-7-1-3-11(8(13)10-7)5-6(12)2-4-17(14,15)16/h1-4,6,12H,5H2,(H2,9,10,13)(H2,14,15,16)/b4-2+