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S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[2-ethanoylsulfanylethoxy-[(2R,3S,5R)-2-[[2-ethanoylsulfanylethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-phosphoryl]oxymethyl]-5-[2-[[2-(hydroxymethyl)phenyl]carbonylamino]-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-ethanoylsulfanylethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidan

Systemtic Name:	S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[2-ethanoylsulfanylethoxy-[(2R,3S,5R)-2-[[2-ethanoylsulfanylethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-phosphoryl]oxymethyl]-5-[2-[[2-(hydroxymethyl)phenyl]carbonylamino]-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-ethanoylsulfanylethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidan
Openeye Name:	S-[2-[[(2R,3S,5R)-2-[[2-acetylsulfanylethoxy-[(2R,3S,5R)-2-[[2-acetylsulfanylethoxy-[(2R,3S,5R)-2-[[2-acetylsulfanylethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]-5-[2-[[2-(hydroxymethyl)benzoyl]amino]-6-oxo-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyethyl]
CAS Name:	ethanethioic acid S-[2-[[(2R,3S,5R)-2-[[2-(acetylthio)ethoxy-[[(2R,3S,5R)-2-[[2-(acetylthio)ethoxy-[[(2R,3S,5R)-2-[[2-(acetylthio)ethoxy-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy]phosphoryl]oxymethyl]-5-[2-[[[2-(hydroxymethyl)phenyl]-oxomethyl]amino]-6-oxo-3H-purin-9-yl]-3-oxolanyl]oxy]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)-3-oxolanyl]oxy]phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxyethyl] ester
IUPAC Name:	S-[2-[[(2R,3S,5R)-2-[[2-acetylsulfanylethoxy-[(2R,3S,5R)-2-[[2-acetylsulfanylethoxy-[(2R,3S,5R)-2-[[2-acetylsulfanylethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-[2-[[2-(hydroxymethyl)benzoyl]amino]-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl] ethanethioate
Traditional Name:	ethanethioic acid S-[2-[[(2R,3S,5R)-2-[[2-(acetylthio)ethoxy-[(2R,3S,5R)-2-[[2-(acetylthio)ethoxy-[(2R,3S,5R)-2-[[2-(acetylthio)ethoxy-[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]-5-[6-keto-2-[(2-methylolbenzoyl)amino]-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]-5-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyethy
Formula:	C₆₄H₈₂N₁₄O₃₃P₄S₄
MolecularWeight:	1827.564924

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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)OCC3C(CC(O3)N4C=NC5=C4NC(=NC5=O)NC(=O)C6=CC=CC=C6CO)OP(=O)(OCCSC(=O)C)OCC7C(CC(O7)N8C=NC9=C8NC(=NC9=O)N)OP(=O)(OCCSC(=O)C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCCSC(=O)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(OCCSC(=O)C)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C4NC(=NC5=O)NC(=O)C6=CC=CC=C6CO)OP(=O)(OCCSC(=O)C)OC[C@@H]7[C@H](C[C@@H](O7)N8C=NC9=C8NC(=NC9=O)N)OP(=O)(OCCSC(=O)C)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCCSC(=O)C

InChI

InChI=1S/C64H82N14O33P4S4/c1-32-23-75(63(90)73-56(32)85)48-19-40(44(26-80)104-48)109-113(94,98-12-16-117-35(4)82)102-28-47-43(22-51(107-47)78-31-67-53-55(78)69-62(72-60(53)89)71-58(87)39-10-8-7-9-38(39)25-79)111-115(96,100-14-18-119-37(6)84)103-29-46-42(21-50(106-46)77-30-66-52-54(77)68-61(65)70-59(52)88)110-114(95,99-13-17-118-36(5)83)101-27-45-41(108-112(92,93)97-11-15-116-34(3)81)20-49(105-45)76-24-33(2)57(86)74-64(76)91/h7-10,23-24,30-31,40-51,79-80H,11-22,25-29H2,1-6H3,(H,92,93)(H,73,85,90)(H,74,86,91)(H3,65,68,70,88)(H2,69,71,72,87,89)/t40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,113?,114?,115?/m0/s1

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