[(E)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)pent-1-enyl]phosphonic acid

Systemtic Name: [(E)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(4-amino-2-oxo-pyrimidin-1-yl)pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(4-amino-2-oxo-1-pyrimidinyl)pent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(4-amino-2-oxopyrimidin-1-yl)pent-1-enyl]phosphonic acid Traditional Name: [(E)-5-(4-amino-2-keto-pyrimidin-1-yl)pent-1-enyl]phosphonic acid Formula: C9H14N3O4P MolecularWeight: 259.198921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N3O4P/c10-8-4-6-12(9(13)11-8)5-2-1-3-7-17(14,15)16/h3-4,6-7H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/b7-3+