Isis 10969

Structural Information

Molecular Formula

C₁₉₄H₂₄₇N₇₀O₁₀₃P₁₉S₁₉

SMILES

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

InChI

InChI=1S/C194H247N70O103P19S19/c1-75-39-251(189(285)239-165(75)267)127-19-81(266)102(330-127)46-310-368(291,387)350-83-21-129(246-14-8-122(196)222-184(246)280)331-103(83)47-312-374(297,393)356-90-28-136(254-42-78(4)168(270)242-192(254)288)339-111(90)55-319-383(306,402)364-97-35-143(261-71-217-151-161(261)229-179(205)235-173(151)275)347-119(97)63-327-385(308,404)366-99-37-145(263-73-219-153-163(263)231-181(207)237-175(153)277)343-115(99)59-323-373(296,392)354-87-25-133(250-18-12-126(200)226-188(250)284)333-105(87)49-314-379(302,398)360-93-31-139(257-67-213-147-155(201)209-65-211-157(147)257)341-113(93)57-321-372(295,391)353-86-24-132(249-17-11-125(199)225-187(249)283)335-107(86)51-316-381(304,400)363-96-34-142(260-70-216-150-160(260)228-178(204)234-172(150)274)345-117(96)61-325-377(300,396)359-92-30-138(256-44-80(6)170(272)244-194(256)290)340-112(92)56-320-384(307,403)365-98-36-144(262-72-218-152-162(262)230-180(206)236-174(152)276)348-120(98)64-328-386(309,405)367-100-38-146(264-74-220-154-164(264)232-182(208)238-176(154)278)346-118(100)62-326-378(301,397)358-91-29-137(255-43-79(5)169(271)243-193(255)289)338-110(91)54-318-382(305,401)361-94-32-140(258-68-214-148-156(202)210-66-212-158(148)258)342-114(94)58-322-371(294,390)352-85-23-131(248-16-10-124(198)224-186(248)282)332-104(85)48-313-375(298,394)355-89-27-135(253-41-77(3)167(269)241-191(253)287)337-109(89)53-317-370(293,389)351-84-22-130(247-15-9-123(197)223-185(247)281)334-106(84)50-315-380(303,399)362-95-33-141(259-69-215-149-159(259)227-177(203)233-171(149)273)344-116(95)60-324-376(299,395)357-88-26-134(252-40-76(2)166(268)240-190(252)286)336-108(88)52-311-369(292,388)349-82-20-128(329-101(82)45-265)245-13-7-121(195)221-183(245)279/h7-18,39-44,65-74,81-120,127-146,265-266H,19-38,45-64H2,1-6H3,(H,291,387)(H,292,388)(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H2,195,221,279)(H2,196,222,280)(H2,197,223,281)(H2,198,224,282)(H2,199,225,283)(H2,200,226,284)(H2,201,209,211)(H2,202,210,212)(H,239,267,285)(H,240,268,286)(H,241,269,287)(H,242,270,288)(H,243,271,289)(H,244,272,290)(H3,203,227,233,273)(H3,204,228,234,274)(H3,205,229,235,275)(H3,206,230,236,276)(H3,207,231,237,277)(H3,208,232,238,278)

InChIKey

MQLCLVKHRNSNAG-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-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]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]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]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-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]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 16204732