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

Systemtic Name: [(2S)-1-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[(4-benzamido-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-(4-benzamido-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[(4-benzamido-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C15H18N3O7P MolecularWeight: 383.293081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CC(CO)OCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)C[C@@H](CO)OCP(=O)(O)O

InChI

InChI=1S/C15H18N3O7P/c19-9-12(25-10-26(22,23)24)8-18-7-6-13(17-15(18)21)16-14(20)11-4-2-1-3-5-11/h1-7,12,19H,8-10H2,(H2,22,23,24)(H,16,17,20,21)/t12-/m0/s1