[[(5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinothioyl] phosphono hydrogen phosphate

Systemtic Name: [[(5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinothioyl] phosphono hydrogen phosphate Openeye Name: [[(5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-sulfanyl-phosphinothioyl] phosphono hydrogen phosphate CAS Name: [[(5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-mercaptophosphinothioyl] phosphono hydrogen phosphate IUPAC Name: [[(5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-sulfanylphosphinothioyl] phosphono hydrogen phosphate Traditional Name: [[(5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-mercapto-thiophosphoryl] phosphono hydrogen phosphate Formula: C9H16N3O11P3S2 MolecularWeight: 499.288123

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(OP(=O)(O)OP(=O)(O)O)S)O

Isomeric SMILES

C1[C@@H](OC(C1O)COP(=S)(OP(=O)(O)OP(=O)(O)O)S)N2C=CC(=NC2=O)N

InChI

InChI=1S/C9H16N3O11P3S2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-26(27,28)23-25(18,19)22-24(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,27,28)(H2,10,11,14)(H2,15,16,17)/t5?,6?,8-/m1/s1