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

Systemtic Name: [(2S)-1-[4-azanyl-2-oxidanylidene-5-(phenylmethyl)pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[(4-amino-5-benzyl-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[4-amino-2-oxo-5-(phenylmethyl)-1-pyrimidinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(4-amino-5-benzyl-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[(4-amino-5-benzyl-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C15H20N3O6P MolecularWeight: 369.309561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C(=O)N=C2N)CC(CO)OCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C(=O)N=C2N)C[C@@H](CO)OCP(=O)(O)O

InChI

InChI=1S/C15H20N3O6P/c16-14-12(6-11-4-2-1-3-5-11)7-18(15(20)17-14)8-13(9-19)24-10-25(21,22)23/h1-5,7,13,19H,6,8-10H2,(H2,16,17,20)(H2,21,22,23)/t13-/m0/s1