Isis 6497

Structural Information

Molecular Formula

C₁₉₄H₂₄₃N₈₂O₉₅P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=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(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)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)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C194H243N82O95P19S19/c1-75-35-263(193(293)255-173(75)279)129-22-84(359-378(301,397)318-39-99-79(17-124(335-99)258-10-4-118(196)238-188(258)288)354-372(295,391)314-38-98-77(278)15-123(334-98)257-9-3-117(195)237-187(257)287)104(340-129)44-321-381(304,400)366-91-29-137(271-69-231-149-167(271)243-181(207)249-175(149)281)347-111(91)51-327-377(300,396)358-83-21-128(262-14-8-122(200)242-192(262)292)338-102(83)42-319-379(302,398)360-85-23-130(264-36-76(2)174(280)256-194(264)294)341-105(85)45-322-382(305,401)367-92-30-138(272-70-232-150-168(272)244-182(208)250-176(150)282)351-115(92)55-331-389(312,408)370-93-31-139(273-71-233-151-169(273)245-183(209)251-177(151)283)348-112(93)52-328-376(299,395)357-82-20-127(261-13-7-121(199)241-191(261)291)337-101(82)41-317-374(297,393)355-80-18-125(259-11-5-119(197)239-189(259)289)336-100(80)40-316-375(298,394)356-81-19-126(260-12-6-120(198)240-190(260)290)339-103(81)43-320-380(303,399)361-87-25-133(267-65-227-145-157(203)215-59-221-163(145)267)345-109(87)49-325-387(310,406)369-95-33-141(275-73-235-153-171(275)247-185(211)253-179(153)285)352-116(95)56-332-390(313,409)371-96-34-142(276-74-236-154-172(276)248-186(212)254-180(154)286)350-114(96)54-330-386(309,405)365-90-28-136(270-68-230-148-160(206)218-62-224-166(148)270)344-108(90)48-324-383(306,402)363-88-26-134(268-66-228-146-158(204)216-60-222-164(146)268)343-107(88)47-323-384(307,403)364-89-27-135(269-67-229-147-159(205)217-61-223-165(147)269)346-110(89)50-326-388(311,407)368-94-32-140(274-72-234-152-170(274)246-184(210)252-178(152)284)349-113(94)53-329-385(308,404)362-86-24-132(266-64-226-144-156(202)214-58-220-162(144)266)342-106(86)46-315-373(296,392)353-78-16-131(333-97(78)37-277)265-63-225-143-155(201)213-57-219-161(143)265/h3-14,35-36,57-74,77-116,123-142,277-278H,15-34,37-56H2,1-2H3,(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)(H,310,406)(H,311,407)(H,312,408)(H,313,409)(H2,195,237,287)(H2,196,238,288)(H2,197,239,289)(H2,198,240,290)(H2,199,241,291)(H2,200,242,292)(H2,201,213,219)(H2,202,214,220)(H2,203,215,221)(H2,204,216,222)(H2,205,217,223)(H2,206,218,224)(H,255,279,293)(H,256,280,294)(H3,207,243,249,281)(H3,208,244,250,282)(H3,209,245,251,283)(H3,210,246,252,284)(H3,211,247,253,285)(H3,212,248,254,286)

InChIKey

PZFORMBBOOKLMG-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204702