sodium [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: sodium [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: sodium [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: sodium [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: sodium [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: sodium [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C8H14N3NaO6P+ MolecularWeight: 302.176791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.[Na+]

Isomeric SMILES

C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O.[Na+]

InChI

InChI=1S/C8H14N3O6P.Na/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);/q;+1/t6-;/m0./s1