[[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-methyl-phosphinic acid

Systemtic Name: [[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-methyl-phosphinic acid Openeye Name: [[[(2R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-methyl-phosphinic acid CAS Name: [[[(2R,5S)-5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-methylphosphinic acid IUPAC Name: [[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-methylphosphinic acid Traditional Name: [[[(2R,5S)-5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-methyl-phosphinic acid Formula: C9H16N3O11P3S MolecularWeight: 467.223123

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CS1)N2C=CC(=NC2=O)N

Isomeric SMILES

CP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@@H](CS1)N2C=CC(=NC2=O)N

InChI

InChI=1S/C9H16N3O11P3S/c1-24(14,15)22-26(18,19)23-25(16,17)20-4-8-21-7(5-27-8)12-3-2-6(10)11-9(12)13/h2-3,7-8H,4-5H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H2,10,11,13)/t7-,8+/m0/s1