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

Systemtic Name: [(2S)-1-[4-(butylamino)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[4-(butylamino)-2-oxo-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[4-(butylamino)-2-oxo-1-pyrimidinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[4-(butylamino)-2-oxopyrimidin-1-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[4-(butylamino)-2-keto-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C12H22N3O6P MolecularWeight: 335.293341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=O)N(C=C1)CC(CO)OCP(=O)(O)O

Isomeric SMILES

CCCCNC1=NC(=O)N(C=C1)C[C@@H](CO)OCP(=O)(O)O

InChI

InChI=1S/C12H22N3O6P/c1-2-3-5-13-11-4-6-15(12(17)14-11)7-10(8-16)21-9-22(18,19)20/h4,6,10,16H,2-3,5,7-9H2,1H3,(H,13,14,17)(H2,18,19,20)/t10-/m0/s1