2-[[[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[[(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[[(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[[(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C13H27N4O9P2+ MolecularWeight: 445.322402

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)(O)OP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O

Isomeric SMILES

C[N+](C)(C)CCOP(=O)(O)OP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O

InChI

InChI=1S/C13H26N4O9P2/c1-17(2,3)6-7-25-28(22,23)26-27(20,21)10-24-11(9-18)8-16-5-4-12(14)15-13(16)19/h4-5,11,18H,6-10H2,1-3H3,(H3-,14,15,19,20,21,22,23)/p+1/t11-/m0/s1