[(2S)-3-[4-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyphenyl]-1-methoxy-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-3-[4-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyphenyl]-1-methoxy-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyphenyl]methyl]-2-methoxy-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-3-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxyphenyl]-1-methoxy-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-3-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-1-[4-[[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[2-(pivaloylthio)ethoxy]phosphoryl]oxybenzyl]-2-keto-2-methoxy-ethyl]ammonium chloride Formula: C27H38ClN6O10PS MolecularWeight: 705.116581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCSC(=O)C(C)(C)C)OC3=CC=C(C=C3)CC(C(=O)OC)[NH3+])N=[N+]=[N-].[Cl-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCSC(=O)C(C)(C)C)OC3=CC=C(C=C3)C[C@@H](C(=O)OC)[NH3+])N=[N+]=[N-].[Cl-]

InChI

InChI=1S/C27H37N6O10PS.ClH/c1-16-14-33(26(37)30-23(16)34)22-13-20(31-32-29)21(42-22)15-41-44(38,40-10-11-45-25(36)27(2,3)4)43-18-8-6-17(7-9-18)12-19(28)24(35)39-5;/h6-9,14,19-22H,10-13,15,28H2,1-5H3,(H,30,34,37);1H/t19-,20-,21+,22+,44?;/m0./s1