Isis 9034

Structural Information

Molecular Formula

C₉₇H₁₂₄N₃₅O₅₁P₉S₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=O)(OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C97H124N35O51P9S9/c1-38-20-126(95(144)120-83(38)135)64-10-41(134)52(166-64)24-156-184(147,193)176-43-12-65(123-7-4-61(98)111-92(123)141)167-53(43)25-158-188(151,197)179-46-15-69(128-22-40(3)85(137)122-97(128)146)170-56(46)28-161-191(154,200)182-49-18-72(131-36-109-76-81(131)115-90(103)118-87(76)139)174-60(49)32-164-192(155,201)183-50-19-73(132-37-110-77-82(132)116-91(104)119-88(77)140)173-59(50)31-163-187(150,196)178-45-14-67(125-9-6-63(100)113-94(125)143)168-54(45)26-159-189(152,198)180-47-16-70(129-34-107-74-78(101)105-33-106-79(74)129)171-57(47)29-162-186(149,195)177-44-13-66(124-8-5-62(99)112-93(124)142)169-55(44)27-160-190(153,199)181-48-17-71(130-35-108-75-80(130)114-89(102)117-86(75)138)172-58(48)30-157-185(148,194)175-42-11-68(165-51(42)23-133)127-21-39(2)84(136)121-96(127)145/h4-9,20-22,33-37,41-60,64-73,133-134H,10-19,23-32H2,1-3H3,(H,147,193)(H,148,194)(H,149,195)(H,150,196)(H,151,197)(H,152,198)(H,153,199)(H,154,200)(H,155,201)(H2,98,111,141)(H2,99,112,142)(H2,100,113,143)(H2,101,105,106)(H,120,135,144)(H,121,136,145)(H,122,137,146)(H3,102,114,117,138)(H3,103,115,118,139)(H3,104,116,119,140)

InChIKey

QSZMVQRZMJXYGF-UHFFFAOYSA-N

Compound name

1-[5-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16131641