S2(dc)15 (ii)

Structural Information

Molecular Formula

C₁₂₆H₁₆₉N₄₂O₇₈P₁₃S₄

SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3COP(=S)(OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=S)(OC1CC(OC1CO)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)S)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C126H169N42O78P13S4/c127-85-1-15-155(113(171)141-85)99-29-57(170)72(221-99)44-207-247(185,186)243-68-40-110(166-26-12-96(138)152-124(166)182)233-84(68)56-219-259(262,263)246-70-42-112(168-28-14-98(140)154-126(168)184)231-82(70)54-217-257(205,206)242-67-39-109(165-25-11-95(137)151-123(165)181)229-80(67)52-215-255(201,202)240-65-37-107(163-23-9-93(135)149-121(163)179)227-78(65)50-213-253(197,198)238-63-35-105(161-21-7-91(133)147-119(161)177)225-76(63)48-211-251(193,194)236-61-33-103(159-19-5-89(131)145-117(159)175)223-74(61)46-209-249(189,190)234-59-31-101(157-17-3-87(129)143-115(157)173)222-73(59)45-208-248(187,188)235-60-32-102(158-18-4-88(130)144-116(158)174)224-75(60)47-210-250(191,192)237-62-34-104(160-20-6-90(132)146-118(160)176)226-77(62)49-212-252(195,196)239-64-36-106(162-22-8-92(134)148-120(162)178)228-79(64)51-214-254(199,200)241-66-38-108(164-24-10-94(136)150-122(164)180)230-81(66)53-216-256(203,204)244-69-41-111(167-27-13-97(139)153-125(167)183)232-83(69)55-218-258(260,261)245-58-30-100(220-71(58)43-169)156-16-2-86(128)142-114(156)172/h1-28,57-84,99-112,169-170H,29-56H2,(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,260,261)(H,262,263)(H2,127,141,171)(H2,128,142,172)(H2,129,143,173)(H2,130,144,174)(H2,131,145,175)(H2,132,146,176)(H2,133,147,177)(H2,134,148,178)(H2,135,149,179)(H2,136,150,180)(H2,137,151,181)(H2,138,152,182)(H2,139,153,183)(H2,140,154,184)

InChIKey

LWUUOJUQNBDULH-UHFFFAOYSA-N

Compound name

[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16130153