[(2S)-1-(4-azanyl-5-ethynyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-(4-azanyl-5-ethynyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[(4-amino-5-ethynyl-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-(4-amino-5-ethynyl-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(4-amino-5-ethynyl-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[(4-amino-5-ethynyl-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C10H14N3O6P MolecularWeight: 303.208421

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O

Isomeric SMILES

C#CC1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O

InChI

InChI=1S/C10H14N3O6P/c1-2-7-3-13(10(15)12-9(7)11)4-8(5-14)19-6-20(16,17)18/h1,3,8,14H,4-6H2,(H2,11,12,15)(H2,16,17,18)/t8-/m0/s1