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S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethy

Systemtic Name:	S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethy
Openeye Name:	S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-
CAS Name:	2,2-dimethylpropanethioic acid S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy]phosphoryl]oxymethyl]-3-oxolanyl]oxy-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxymethyl]-3-oxolanyl]oxy-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxymethyl]-3-oxolanyl]
IUPAC Name:	S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfany
Traditional Name:	2,2-dimethylpropanethioic acid S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-[2-(pivaloylthio)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(pivaloylthio)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(pivaloylthio)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(pivaloyl
Formula:	C₈₂H₁₂₄N₁₃O₃₈P₅S₅
MolecularWeight:	2215.120065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(OCCSC(=O)C(C)(C)C)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(OCCSC(=O)C(C)(C)C)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=O)(OCCSC(=O)C(C)(C)C)OCC7C(CC(O7)N8C=CC(=NC8=O)N)OP(=O)(OCCSC(=O)C(C)(C)C)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCCSC(=O)C(C)(C)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]5[C@H](C[C@@H](O5)N6C=CC(=NC6=O)N)OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]7[C@H](C[C@@H](O7)N8C=CC(=NC8=O)N)OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]9[C@H](C[C@@H](O9)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCCSC(=O)C(C)(C)C

InChI

InChI=1S/C82H124N13O38P5S5/c1-46-39-94(76(107)89-66(46)97)64-34-48(53(41-96)124-64)130-135(111,116-25-30-140-69(100)79(6,7)8)121-43-55-50(36-61(125-55)91-21-18-58(83)86-73(91)104)132-137(113,118-27-32-142-71(102)81(12,13)14)123-45-57-52(38-63(127-57)93-23-20-60(85)88-75(93)106)133-138(114,119-28-33-143-72(103)82(15,16)17)122-44-56-51(37-62(126-56)92-22-19-59(84)87-74(92)105)131-136(112,117-26-31-141-70(101)80(9,10)11)120-42-54-49(35-65(128-54)95-40-47(2)67(98)90-77(95)108)129-134(109,110)115-24-29-139-68(99)78(3,4)5/h18-23,39-40,48-57,61-65,96H,24-38,41-45H2,1-17H3,(H,109,110)(H2,83,86,104)(H2,84,87,105)(H2,85,88,106)(H,89,97,107)(H,90,98,108)/t48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,61+,62+,63+,64+,65+,135?,136?,137?,138?/m0/s1

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