[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-oxidanyl-phosphoryl]-bis(fluoranyl)methyl]-oxidanyl-phosphoryl]oxy-phosphoryl]boron

Systemtic Name: [[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-oxidanyl-phosphoryl]-bis(fluoranyl)methyl]-oxidanyl-phosphoryl]oxy-phosphoryl]boron Openeye Name: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-hydroxy-phosphoryl]-difluoro-methyl]-hydroxy-phosphoryl]oxy-phosphoryl]boron CAS Name: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-[[[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy-hydroxyphosphoryl]-difluoromethyl]-hydroxyphosphoryl]oxyphosphoryl]boron IUPAC Name: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-hydroxyphosphoryl]-difluoromethyl]-hydroxyphosphoryl]oxyphosphoryl]boron Traditional Name: [[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[difluoro-[hydroxy-[2-(pivaloylthio)ethoxy]phosphoryl]methyl]-hydroxy-phosphoryl]oxy-phosphoryl]boron Formula: C18H27BF2N5O12P3S MolecularWeight: 679.227369

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Descriptors Computed from Structure

Canonical SMILES:

[B]P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCCSC(=O)C(C)(C)C)O

Isomeric SMILES

[B]P(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCCSC(=O)C(C)(C)C)O

InChI

InChI=1S/C18H27BF2N5O12P3S/c1-10-8-26(16(29)23-14(10)27)13-7-11(24-25-22)12(37-13)9-36-41(19,34)38-40(32,33)18(20,21)39(30,31)35-5-6-42-15(28)17(2,3)4/h8,11-13H,5-7,9H2,1-4H3,(H,30,31)(H,32,33)(H,23,27,29)/t11-,12+,13+,41?/m0/s1