[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-[2-[[bis(4-methoxyphenyl)-phenyl-methyl]amino]-6-oxidanylidene-3H-purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-[2-[[bis(4-methoxyphenyl)-phenyl-methyl]amino]-6-oxidanylidene-3H-purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-[2-[[bis(4-methoxyphenyl)-phenyl-methyl]amino]-6-oxo-3H-purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-5-[2-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-6-oxo-3H-purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-5-[2-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-6-oxo-3H-purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl hydrogen phosphate Traditional Name: [[(2R,3S,5R)-5-adenin-9-yl-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-[2-[[bis(4-methoxyphenyl)-phenyl-methyl]amino]-6-keto-3H-purin-9-yl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C73H97N17O27P4Si2 MolecularWeight: 1824.715024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5NC(=NC6=O)NC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1C=NC2=C1N=CN=C2N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)NC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1C=NC2=C1N=CN=C2N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C73H97N17O27P4Si2/c1-40-30-87(70(94)85-66(40)92)54-28-47(113-118(95,96)105-31-49-46(91)27-53(109-49)88-37-80-56-61(74)76-35-78-63(56)88)50(110-54)32-106-119(97,98)114-48-29-55(89-38-81-57-62(75)77-36-79-64(57)89)111-51(48)33-107-120(99,100)117-121(101,102)108-34-52-59(115-122(10,11)71(2,3)4)60(116-123(12,13)72(5,6)7)68(112-52)90-39-82-58-65(90)83-69(84-67(58)93)86-73(41-17-15-14-16-18-41,42-19-23-44(103-8)24-20-42)43-21-25-45(104-9)26-22-43/h14-26,30,35-39,46-55,59-60,68,91H,27-29,31-34H2,1-13H3,(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H2,74,76,78)(H2,75,77,79)(H,85,92,94)(H2,83,84,86,93)/t46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,59+,60+,68+/m0/s1