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

Systemtic Name: [(2S)-1-[4-(cyclopropylamino)-5-ethyl-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[4-(cyclopropylamino)-5-ethyl-2-oxo-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[4-(cyclopropylamino)-5-ethyl-2-oxo-1-pyrimidinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[4-(cyclopropylamino)-5-ethyl-2-oxopyrimidin-1-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[4-(cyclopropylamino)-5-ethyl-2-keto-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C13H22N3O6P MolecularWeight: 347.304041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=O)N=C1NC2CC2)CC(CO)OCP(=O)(O)O

Isomeric SMILES

CCC1=CN(C(=O)N=C1NC2CC2)C[C@@H](CO)OCP(=O)(O)O

InChI

InChI=1S/C13H22N3O6P/c1-2-9-5-16(6-11(7-17)22-8-23(19,20)21)13(18)15-12(9)14-10-3-4-10/h5,10-11,17H,2-4,6-8H2,1H3,(H,14,15,18)(H2,19,20,21)/t11-/m0/s1