4-azanyl-1-[(E)-2-(hydroxymethyl)-4-phosphonato-but-3-enyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(E)-2-(hydroxymethyl)-4-phosphonato-but-3-enyl]pyrimidin-2-one Openeye Name: 4-amino-1-[(E)-2-(hydroxymethyl)-4-phosphonato-but-3-enyl]pyrimidin-2-one CAS Name: 4-amino-1-[(E)-2-(hydroxymethyl)-4-phosphonatobut-3-enyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(E)-2-(hydroxymethyl)-4-phosphonatobut-3-enyl]pyrimidin-2-one Traditional Name: 4-amino-1-[(E)-2-methylol-4-phosphonato-but-3-enyl]pyrimidin-2-one Formula: C9H12N3O5P-2 MolecularWeight: 273.182441

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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)/p-2/b4-2+