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

Systemtic Name: [(2S)-1-[4-azanyl-5-(4-nitrophenyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[4-amino-5-(4-nitrophenyl)-2-oxo-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[4-amino-5-(4-nitrophenyl)-2-oxo-1-pyrimidinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[4-amino-5-(4-nitrophenyl)-2-oxopyrimidin-1-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[4-amino-2-keto-5-(4-nitrophenyl)pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C14H17N4O8P MolecularWeight: 400.280541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(C(=O)N=C2N)CC(CO)OCP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CN(C(=O)N=C2N)C[C@@H](CO)OCP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H17N4O8P/c15-13-12(9-1-3-10(4-2-9)18(21)22)6-17(14(20)16-13)5-11(7-19)26-8-27(23,24)25/h1-4,6,11,19H,5,7-8H2,(H2,15,16,20)(H2,23,24,25)/t11-/m0/s1